N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide

C16H28N4O — CID 50982682

IUPACN-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(C)CCc1cn[nH]c1
InChIInChI=1S/C16H28N4O/c1-3-15(16(21)19-14-7-5-4-6-8-14)20(2)10-9-13-11-17-18-12-13/h11-12,14-15H,3-10H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyBDSLLSJOCDNPCS-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.11
Rot. Bonds7

About N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide

N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide (PubChem CID 50982682) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide
PubChem CID50982682
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(C)CCc1cn[nH]c1
InChIInChI=1S/C16H28N4O/c1-3-15(16(21)19-14-7-5-4-6-8-14)20(2)10-9-13-11-17-18-12-13/h11-12,14-15H,3-10H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyBDSLLSJOCDNPCS-UHFFFAOYSA-N
XLogP2.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide?
The IUPAC name of N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide (CID 50982682) is N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide?
The canonical SMILES for N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide is CCC(C(=O)NC1CCCCC1)N(C)CCc1cn[nH]c1.
What is the InChIKey of N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide?
The InChIKey is BDSLLSJOCDNPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-15(16(21)19-14-7-5-4-6-8-14)20(2)10-9-13-11-17-18-12-13/h11-12,14-15H,3-10H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide?
N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide has a molecular weight of 292.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]butanamide is sourced from PubChem (CID 50982682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).