4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide

Name: 4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₉N₅O₂ — CID 55934321

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide

SMILESO=C(CCCNC(=O)NC1CCCCC1)Nc1ccccc1Cn1cccn1

InChIInChI=1S/C21H29N5O2/c27-20(12-6-13-22-21(28)24-18-9-2-1-3-10-18)25-19-11-5-4-8-17(19)16-26-15-7-14-23-26/h4-5,7-8,11,14-15,18H,1-3,6,9-10,12-13,16H2,(H,25,27)(H2,22,24,28)

InChIKeyOKUAKQIVWRKCTB-UHFFFAOYSA-N

MW383.50 g/mol

LogP3.28

Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide

4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide (PubChem CID 55934321) has the molecular formula C₂₁H₂₉N₅O₂ and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name	4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide
PubChem CID	55934321
Molecular Formula	C₂₁H₂₉N₅O₂
Molecular Weight	383.50 g/mol
Exact Mass	383.23
IUPAC Name	4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide
SMILES	O=C(CCCNC(=O)NC1CCCCC1)Nc1ccccc1Cn1cccn1
InChI	InChI=1S/C21H29N5O2/c27-20(12-6-13-22-21(28)24-18-9-2-1-3-10-18)25-19-11-5-4-8-17(19)16-26-15-7-14-23-26/h4-5,7-8,11,14-15,18H,1-3,6,9-10,12-13,16H2,(H,25,27)(H2,22,24,28)
InChIKey	OKUAKQIVWRKCTB-UHFFFAOYSA-N
XLogP	3.28
TPSA	88.05 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide?

The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide (CID 55934321) is 4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide.

What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide?

The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide is O=C(CCCNC(=O)NC1CCCCC1)Nc1ccccc1Cn1cccn1.

What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide?

The InChIKey is OKUAKQIVWRKCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-20(12-6-13-22-21(28)24-18-9-2-1-3-10-18)25-19-11-5-4-8-17(19)16-26-15-7-14-23-26/h4-5,7-8,11,14-15,18H,1-3,6,9-10,12-13,16H2,(H,25,27)(H2,22,24,28).

What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide?

4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide has a molecular weight of 383.50 g/mol, XLogP of 3.28, 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-(pyrazol-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 55934321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 55934321 — identifiers, structure, computed properties (public domain)

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