N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide

C12H17N5O — CID 136515520

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C12H17N5O/c1-9(2)17-10(4-5-15-17)12(18)16(3)8-11-13-6-7-14-11/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyHRNPEPJUBGOKQW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.46
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 136515520) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID136515520
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C12H17N5O/c1-9(2)17-10(4-5-15-17)12(18)16(3)8-11-13-6-7-14-11/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyHRNPEPJUBGOKQW-UHFFFAOYSA-N
XLogP1.46
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-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-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide (CID 136515520) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is HRNPEPJUBGOKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(2)17-10(4-5-15-17)12(18)16(3)8-11-13-6-7-14-11/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 136515520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).