4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide

C18H31N5O2 — CID 35447449

IUPAC4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide
SMILESCC(C)Cn1nccc1NC(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C18H31N5O2/c1-14(2)13-23-16(10-12-20-23)22-17(24)9-6-11-19-18(25)21-15-7-4-3-5-8-15/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,22,24)(H2,19,21,25)
InChIKeyHKPRIQNCEWYUHB-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.89
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide

4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide (PubChem CID 35447449) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide
PubChem CID35447449
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide
SMILESCC(C)Cn1nccc1NC(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C18H31N5O2/c1-14(2)13-23-16(10-12-20-23)22-17(24)9-6-11-19-18(25)21-15-7-4-3-5-8-15/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,22,24)(H2,19,21,25)
InChIKeyHKPRIQNCEWYUHB-UHFFFAOYSA-N
XLogP2.89
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide (CID 35447449) is 4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide is CC(C)Cn1nccc1NC(=O)CCCNC(=O)NC1CCCCC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide?
The InChIKey is HKPRIQNCEWYUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-14(2)13-23-16(10-12-20-23)22-17(24)9-6-11-19-18(25)21-15-7-4-3-5-8-15/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,22,24)(H2,19,21,25).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide has a molecular weight of 349.48 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide is sourced from PubChem (CID 35447449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).