4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide

C16H21N5O3 — CID 70324659

IUPAC4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESN#CC(C(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1)C1CC1
InChIInChI=1S/C16H21N5O3/c17-7-12(9-1-2-9)15(23)20-13-8-18-21-14(13)16(24)19-10-3-5-11(22)6-4-10/h8-12,22H,1-6H2,(H,18,21)(H,19,24)(H,20,23)
InChIKeyWOWBJYILXPISEV-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.93
Rot. Bonds5

About 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide

4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 70324659) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID70324659
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESN#CC(C(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1)C1CC1
InChIInChI=1S/C16H21N5O3/c17-7-12(9-1-2-9)15(23)20-13-8-18-21-14(13)16(24)19-10-3-5-11(22)6-4-10/h8-12,22H,1-6H2,(H,18,21)(H,19,24)(H,20,23)
InChIKeyWOWBJYILXPISEV-UHFFFAOYSA-N
XLogP0.93
TPSA130.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 70324659) is 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is N#CC(C(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1)C1CC1.
What is the InChIKey of 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WOWBJYILXPISEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c17-7-12(9-1-2-9)15(23)20-13-8-18-21-14(13)16(24)19-10-3-5-11(22)6-4-10/h8-12,22H,1-6H2,(H,18,21)(H,19,24)(H,20,23).
What are the key properties of 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70324659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).