4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide

C15H25ClN4O — CID 79377561

IUPAC4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide
SMILESCCc1nn(CC)c(CNCCCC(=O)NC2CC2)c1Cl
InChIInChI=1S/C15H25ClN4O/c1-3-12-15(16)13(20(4-2)19-12)10-17-9-5-6-14(21)18-11-7-8-11/h11,17H,3-10H2,1-2H3,(H,18,21)
InChIKeyCWDSUYDDAQFUCF-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.27
Rot. Bonds9

About 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide

4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide (PubChem CID 79377561) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide
PubChem CID79377561
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide
SMILESCCc1nn(CC)c(CNCCCC(=O)NC2CC2)c1Cl
InChIInChI=1S/C15H25ClN4O/c1-3-12-15(16)13(20(4-2)19-12)10-17-9-5-6-14(21)18-11-7-8-11/h11,17H,3-10H2,1-2H3,(H,18,21)
InChIKeyCWDSUYDDAQFUCF-UHFFFAOYSA-N
XLogP2.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide
CID 79394945
5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol
CID 114147580
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-7-methyloctan-1-amine
CID 107815099
4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide
CID 114440058
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
CID 81388662
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
methyl 2-bromo-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]propanoate
CID 103492239
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293882
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-2-one
CID 103455647
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186716
4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide
CID 112729982

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide (CID 79377561) is 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide is CCc1nn(CC)c(CNCCCC(=O)NC2CC2)c1Cl.
What is the InChIKey of 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide?
The InChIKey is CWDSUYDDAQFUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-3-12-15(16)13(20(4-2)19-12)10-17-9-5-6-14(21)18-11-7-8-11/h11,17H,3-10H2,1-2H3,(H,18,21).
What are the key properties of 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide?
4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide has a molecular weight of 312.85 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79377561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).