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

C14H24N4O2 — CID 103965202

IUPAC4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCC2(CO)CCCCC2)n1
InChIInChI=1S/C14H24N4O2/c1-2-18-8-11(15)12(17-18)13(20)16-9-14(10-19)6-4-3-5-7-14/h8,19H,2-7,9-10,15H2,1H3,(H,16,20)
InChIKeyWCMJNHIHHPCJAV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.16
Rot. Bonds5

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

4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide (PubChem CID 103965202) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide
PubChem CID103965202
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCC2(CO)CCCCC2)n1
InChIInChI=1S/C14H24N4O2/c1-2-18-8-11(15)12(17-18)13(20)16-9-14(10-19)6-4-3-5-7-14/h8,19H,2-7,9-10,15H2,1H3,(H,16,20)
InChIKeyWCMJNHIHHPCJAV-UHFFFAOYSA-N
XLogP1.16
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65363321
4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 107229536
4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
CID 114946837
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
CID 113359537
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 65357738
N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide
CID 65359224
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide
CID 65358133
4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
CID 114098963
4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 79248411
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide (CID 103965202) is 4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCC2(CO)CCCCC2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide?
The InChIKey is WCMJNHIHHPCJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-18-8-11(15)12(17-18)13(20)16-9-14(10-19)6-4-3-5-7-14/h8,19H,2-7,9-10,15H2,1H3,(H,16,20).
What are the key properties of 4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.16, 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-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 103965202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).