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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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).