2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide

C28H35N5O2 — CID 126681614

IUPAC2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(CCC3CC3)N3CCOCC3)c2)n(-c2cccc(CN)c2)n1
InChIInChI=1S/C28H35N5O2/c1-20-16-27(33(31-20)25-7-2-4-22(17-25)19-29)28(34)30-24-6-3-5-23(18-24)26(11-10-21-8-9-21)32-12-14-35-15-13-32/h2-7,16-18,21,26H,8-15,19,29H2,1H3,(H,30,34)
InChIKeyBOHMNSQNETYPGL-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.46
Rot. Bonds9

About 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide

2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 126681614) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID126681614
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(CCC3CC3)N3CCOCC3)c2)n(-c2cccc(CN)c2)n1
InChIInChI=1S/C28H35N5O2/c1-20-16-27(33(31-20)25-7-2-4-22(17-25)19-29)28(34)30-24-6-3-5-23(18-24)26(11-10-21-8-9-21)32-12-14-35-15-13-32/h2-7,16-18,21,26H,8-15,19,29H2,1H3,(H,30,34)
InChIKeyBOHMNSQNETYPGL-UHFFFAOYSA-N
XLogP4.46
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681410
2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy(phenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681408
2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681418
N-[3-[(4-acetamidophenyl)-(cyclopropylmethylamino)methyl]phenyl]-2-[3-(aminomethyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 161159116
N-[3-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]-2-[3-(aminomethyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 126681440
2-[3-(aminomethyl)phenyl]-N-[3-[(10-chloroanthracen-9-yl)-(cyclopropylmethylamino)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681647
2-[3-(aminomethyl)phenyl]-N-[3-[[cyclopropyl(methyl)amino]-(2,3-dihydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126665468
2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681626
2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[2-methylpropoxy(phenyl)methyl]phenyl]pyrazole-3-carboxamide
CID 126681539
2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide
CID 126681702
2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(2-methylbutylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide
CID 126681707
1-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(3H-pyrrol-4-yl)propyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 138722263

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide (CID 126681614) is 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C(CCC3CC3)N3CCOCC3)c2)n(-c2cccc(CN)c2)n1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is BOHMNSQNETYPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-20-16-27(33(31-20)25-7-2-4-22(17-25)19-29)28(34)30-24-6-3-5-23(18-24)26(11-10-21-8-9-21)32-12-14-35-15-13-32/h2-7,16-18,21,26H,8-15,19,29H2,1H3,(H,30,34).
What are the key properties of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide?
2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 126681614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).