N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide

C16H23N5O — CID 50958485

IUPACN-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(Cc2nccn2C)C2CC2)c1C
InChIInChI=1S/C16H23N5O/c1-4-8-21-12(2)14(10-18-21)16(22)20(13-5-6-13)11-15-17-7-9-19(15)3/h7,9-10,13H,4-6,8,11H2,1-3H3
InChIKeyBWFLMXUVIKKVJN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.14
Rot. Bonds6

About N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide

N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 50958485) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide
PubChem CID50958485
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(Cc2nccn2C)C2CC2)c1C
InChIInChI=1S/C16H23N5O/c1-4-8-21-12(2)14(10-18-21)16(22)20(13-5-6-13)11-15-17-7-9-19(15)3/h7,9-10,13H,4-6,8,11H2,1-3H3
InChIKeyBWFLMXUVIKKVJN-UHFFFAOYSA-N
XLogP2.14
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide (CID 50958485) is N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)N(Cc2nccn2C)C2CC2)c1C.
What is the InChIKey of N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is BWFLMXUVIKKVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-8-21-12(2)14(10-18-21)16(22)20(13-5-6-13)11-15-17-7-9-19(15)3/h7,9-10,13H,4-6,8,11H2,1-3H3.
What are the key properties of N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide?
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 50958485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).