4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C18H27N3O3 — CID 120524544

IUPAC4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)n1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1C1CC1
InChIInChI=1S/C18H27N3O3/c1-3-11(2)21-16(12-4-5-12)15(10-19-21)17(22)20-14-8-6-13(7-9-14)18(23)24/h10-14H,3-9H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyFWCMQPDCYGQXDQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.10
Rot. Bonds6

About 4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120524544) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120524544
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)n1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1C1CC1
InChIInChI=1S/C18H27N3O3/c1-3-11(2)21-16(12-4-5-12)15(10-19-21)17(22)20-14-8-6-13(7-9-14)18(23)24/h10-14H,3-9H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyFWCMQPDCYGQXDQ-UHFFFAOYSA-N
XLogP3.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120524544) is 4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC(C)n1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1C1CC1.
What is the InChIKey of 4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is FWCMQPDCYGQXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-11(2)21-16(12-4-5-12)15(10-19-21)17(22)20-14-8-6-13(7-9-14)18(23)24/h10-14H,3-9H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120524544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).