4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

C14H18N4O2 — CID 107210252

IUPAC4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCc2cccc(CO)c2)c1N
InChIInChI=1S/C14H18N4O2/c1-2-11-12(15)13(18-17-11)14(20)16-7-9-4-3-5-10(6-9)8-19/h3-6,19H,2,7-8,15H2,1H3,(H,16,20)(H,17,18)
InChIKeyXXRWCPOMQSIDAN-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.98
Rot. Bonds5

About 4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 107210252) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID107210252
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCc2cccc(CO)c2)c1N
InChIInChI=1S/C14H18N4O2/c1-2-11-12(15)13(18-17-11)14(20)16-7-9-4-3-5-10(6-9)8-19/h3-6,19H,2,7-8,15H2,1H3,(H,16,20)(H,17,18)
InChIKeyXXRWCPOMQSIDAN-UHFFFAOYSA-N
XLogP0.98
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082153
4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 107843338
4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076796
4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076742
4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082853
4-amino-5-ethyl-N-[1-(furan-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 62082159
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
4-amino-N-(2,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080747
4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 62080974
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 107210252) is 4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCc2cccc(CO)c2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is XXRWCPOMQSIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-11-12(15)13(18-17-11)14(20)16-7-9-4-3-5-10(6-9)8-19/h3-6,19H,2,7-8,15H2,1H3,(H,16,20)(H,17,18).
What are the key properties of 4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 107210252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).