4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide

C11H17N5O2 — CID 55176870

IUPAC4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)C1CCC(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C11H17N5O2/c12-8-5-14-16-9(8)11(18)15-7-3-1-6(2-4-7)10(13)17/h5-7H,1-4,12H2,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyLGVAMACDIIRQRE-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.23
Rot. Bonds3

About 4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide

4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 55176870) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID55176870
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)C1CCC(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C11H17N5O2/c12-8-5-14-16-9(8)11(18)15-7-3-1-6(2-4-7)10(13)17/h5-7H,1-4,12H2,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyLGVAMACDIIRQRE-UHFFFAOYSA-N
XLogP-0.23
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 54913899
N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
4-amino-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-carboxamide
CID 83027249
4-amino-N-(2-cyclopentyloxyethyl)-1H-pyrazole-5-carboxamide
CID 55260674
4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide
CID 62680438
4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide
CID 55179184
N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 63049397
4-amino-N-[4-(oxan-4-ylamino)cyclohexyl]-1H-pyrazole-5-carboxamide;3-[(Z)-but-1-enyl]-5-phosphanylhepta-4,6-dien-2-one
CID 143263544
4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 63102669
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622
N-(4-amino-4-hydroxycyclohexyl)-4-(methylamino)-1H-pyrazole-5-carboxamide
CID 143609180

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide (CID 55176870) is 4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide is NC(=O)C1CCC(NC(=O)c2[nH]ncc2N)CC1.
What is the InChIKey of 4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LGVAMACDIIRQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-8-5-14-16-9(8)11(18)15-7-3-1-6(2-4-7)10(13)17/h5-7H,1-4,12H2,(H2,13,17)(H,14,16)(H,15,18).
What are the key properties of 4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-carbamoylcyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55176870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).