N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide

C19H28N4O2 — CID 119659743

IUPACN-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)N(C)CCC(N)C(C)C)cn2)cc1
InChIInChI=1S/C19H28N4O2/c1-14(2)18(20)9-10-22(3)19(24)16-11-21-23(13-16)12-15-5-7-17(25-4)8-6-15/h5-8,11,13-14,18H,9-10,12,20H2,1-4H3
InChIKeySTWINLJEYSOVQG-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.39
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide

N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide (PubChem CID 119659743) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
PubChem CID119659743
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)N(C)CCC(N)C(C)C)cn2)cc1
InChIInChI=1S/C19H28N4O2/c1-14(2)18(20)9-10-22(3)19(24)16-11-21-23(13-16)12-15-5-7-17(25-4)8-6-15/h5-8,11,13-14,18H,9-10,12,20H2,1-4H3
InChIKeySTWINLJEYSOVQG-UHFFFAOYSA-N
XLogP2.39
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659742
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119658474
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 119526509
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 119659123
N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119657579
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
CID 119657241
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
1-[(4-methoxyphenyl)methyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119443218
(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
CID 97277528
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide (CID 119659743) is N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)N(C)CCC(N)C(C)C)cn2)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
The InChIKey is STWINLJEYSOVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(2)18(20)9-10-22(3)19(24)16-11-21-23(13-16)12-15-5-7-17(25-4)8-6-15/h5-8,11,13-14,18H,9-10,12,20H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119659743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).