3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H18N4O2 — CID 43159421

IUPAC3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H18N4O2/c1-6-9(10(12)15-14-6)11(17)13-7-2-4-8(16)5-3-7/h7-8,16H,2-5H2,1H3,(H,13,17)(H3,12,14,15)
InChIKeyBJRNFPITSGHXCP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.33
Rot. Bonds2

About 3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide

3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 43159421) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID43159421
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H18N4O2/c1-6-9(10(12)15-14-6)11(17)13-7-2-4-8(16)5-3-7/h7-8,16H,2-5H2,1H3,(H,13,17)(H3,12,14,15)
InChIKeyBJRNFPITSGHXCP-UHFFFAOYSA-N
XLogP0.33
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 43159421) is 3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is BJRNFPITSGHXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-6-9(10(12)15-14-6)11(17)13-7-2-4-8(16)5-3-7/h7-8,16H,2-5H2,1H3,(H,13,17)(H3,12,14,15).
What are the key properties of 3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43159421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).