N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide

C13H22N4O — CID 112732619

IUPACN-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide
SMILESCc1n[nH]c(C)c1CNCCCC(=O)NC1CC1
InChIInChI=1S/C13H22N4O/c1-9-12(10(2)17-16-9)8-14-7-3-4-13(18)15-11-5-6-11/h11,14H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyNWWRGCCBQRDGIG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.17
Rot. Bonds7

About N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide

N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide (PubChem CID 112732619) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide
PubChem CID112732619
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide
SMILESCc1n[nH]c(C)c1CNCCCC(=O)NC1CC1
InChIInChI=1S/C13H22N4O/c1-9-12(10(2)17-16-9)8-14-7-3-4-13(18)15-11-5-6-11/h11,14H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyNWWRGCCBQRDGIG-UHFFFAOYSA-N
XLogP1.17
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide (CID 112732619) is N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide is Cc1n[nH]c(C)c1CNCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide?
The InChIKey is NWWRGCCBQRDGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-12(10(2)17-16-9)8-14-7-3-4-13(18)15-11-5-6-11/h11,14H,3-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide?
N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide is sourced from PubChem (CID 112732619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).