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

C14H18N4O2 — CID 107229536

IUPAC4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCc2ccc(CO)cc2)n1
InChIInChI=1S/C14H18N4O2/c1-2-18-8-12(15)13(17-18)14(20)16-7-10-3-5-11(9-19)6-4-10/h3-6,8,19H,2,7,9,15H2,1H3,(H,16,20)
InChIKeyRKWFEICIXGRMTR-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.91
Rot. Bonds5

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

4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 107229536) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID107229536
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCc2ccc(CO)cc2)n1
InChIInChI=1S/C14H18N4O2/c1-2-18-8-12(15)13(17-18)14(20)16-7-10-3-5-11(9-19)6-4-10/h3-6,8,19H,2,7,9,15H2,1H3,(H,16,20)
InChIKeyRKWFEICIXGRMTR-UHFFFAOYSA-N
XLogP0.91
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
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CID 65362915
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CID 65359220
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4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide
CID 65358162
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CID 114098963

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 107229536) is 4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCc2ccc(CO)cc2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is RKWFEICIXGRMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-18-8-12(15)13(17-18)14(20)16-7-10-3-5-11(9-19)6-4-10/h3-6,8,19H,2,7,9,15H2,1H3,(H,16,20).
What are the key properties of 4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107229536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).