4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

C18H22N4O3 — CID 118714255

IUPAC4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H22N4O3/c1-25-14-9-7-13(8-10-14)20-18(24)16-15(11-19-22-16)21-17(23)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyVPYBJHYVRIXQPO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.35
Rot. Bonds5

About 4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 118714255) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID118714255
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H22N4O3/c1-25-14-9-7-13(8-10-14)20-18(24)16-15(11-19-22-16)21-17(23)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyVPYBJHYVRIXQPO-UHFFFAOYSA-N
XLogP2.35
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 118714255) is 4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2)CC1.
What is the InChIKey of 4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VPYBJHYVRIXQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-14-9-7-13(8-10-14)20-18(24)16-15(11-19-22-16)21-17(23)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of 4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).