3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

C23H27N5O3 — CID 159482041

IUPAC3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(Cc2[nH]nc(NCc3ccc(O)cc3)c2C(N)=O)ccc1N1CCOCC1
InChIInChI=1S/C23H27N5O3/c1-15-12-17(4-7-20(15)28-8-10-31-11-9-28)13-19-21(22(24)30)23(27-26-19)25-14-16-2-5-18(29)6-3-16/h2-7,12,29H,8-11,13-14H2,1H3,(H2,24,30)(H2,25,26,27)
InChIKeyLXCUKBOPEXPBLQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.56
Rot. Bonds7

About 3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 159482041) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID159482041
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(Cc2[nH]nc(NCc3ccc(O)cc3)c2C(N)=O)ccc1N1CCOCC1
InChIInChI=1S/C23H27N5O3/c1-15-12-17(4-7-20(15)28-8-10-31-11-9-28)13-19-21(22(24)30)23(27-26-19)25-14-16-2-5-18(29)6-3-16/h2-7,12,29H,8-11,13-14H2,1H3,(H2,24,30)(H2,25,26,27)
InChIKeyLXCUKBOPEXPBLQ-UHFFFAOYSA-N
XLogP2.56
TPSA116.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 158402934
5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 160863638
5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 157452926
3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 159619556
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 146762671
5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
CID 121410169
5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 159810100
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
CID 161123077
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-1,2-dihydropyridin-3-yl)amino]-1H-pyrazole-4-carboxamide
CID 146527621
5-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 121432035
3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-propan-2-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 121432088
3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 71765303

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 159482041) is 3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cc(Cc2[nH]nc(NCc3ccc(O)cc3)c2C(N)=O)ccc1N1CCOCC1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LXCUKBOPEXPBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-12-17(4-7-20(15)28-8-10-31-11-9-28)13-19-21(22(24)30)23(27-26-19)25-14-16-2-5-18(29)6-3-16/h2-7,12,29H,8-11,13-14H2,1H3,(H2,24,30)(H2,25,26,27).
What are the key properties of 3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.56, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 159482041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).