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

C17H23N5O3 — CID 59862795

IUPAC4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)C(C#N)C2CC2)CC1
InChIInChI=1S/C17H23N5O3/c1-25-12-6-4-11(5-7-12)20-17(24)15-14(9-19-22-15)21-16(23)13(8-18)10-2-3-10/h9-13H,2-7H2,1H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyVQCBRCWNRZIPLV-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.59
Rot. Bonds6

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

4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 59862795) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID59862795
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)C(C#N)C2CC2)CC1
InChIInChI=1S/C17H23N5O3/c1-25-12-6-4-11(5-7-12)20-17(24)15-14(9-19-22-15)21-16(23)13(8-18)10-2-3-10/h9-13H,2-7H2,1H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyVQCBRCWNRZIPLV-UHFFFAOYSA-N
XLogP1.59
TPSA119.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
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-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 59862795) is 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)C(C#N)C2CC2)CC1.
What is the InChIKey of 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VQCBRCWNRZIPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-25-12-6-4-11(5-7-12)20-17(24)15-14(9-19-22-15)21-16(23)13(8-18)10-2-3-10/h9-13H,2-7H2,1H3,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of 4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-[(2-cyano-2-cyclopropylacetyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 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-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59862795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).