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

C12H20N4O2 — CID 106119084

IUPAC4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCC2CCC(O)CC2)n1
InChIInChI=1S/C12H20N4O2/c1-16-7-10(13)11(15-16)12(18)14-6-8-2-4-9(17)5-3-8/h7-9,17H,2-6,13H2,1H3,(H,14,18)
InChIKeySLRAAKJNVHCXSI-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.28
Rot. Bonds3

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

4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 106119084) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
PubChem CID106119084
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCC2CCC(O)CC2)n1
InChIInChI=1S/C12H20N4O2/c1-16-7-10(13)11(15-16)12(18)14-6-8-2-4-9(17)5-3-8/h7-9,17H,2-6,13H2,1H3,(H,14,18)
InChIKeySLRAAKJNVHCXSI-UHFFFAOYSA-N
XLogP0.28
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-hydroxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65354699
4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
CID 106021956
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 65354922
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 106119092
4-amino-1-methyl-N-(morpholin-2-ylmethyl)pyrazole-3-carboxamide
CID 122445315
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106121963
4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 59733437
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide
CID 131241275
4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 122445348

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide (CID 106119084) is 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NCC2CCC(O)CC2)n1.
What is the InChIKey of 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is SLRAAKJNVHCXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-7-10(13)11(15-16)12(18)14-6-8-2-4-9(17)5-3-8/h7-9,17H,2-6,13H2,1H3,(H,14,18).
What are the key properties of 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide?
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 106119084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).