1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide

C13H19N5O — CID 122567737

IUPAC1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
SMILESCCCC(NC(=O)c1ccn(C)n1)c1nccn1C
InChIInChI=1S/C13H19N5O/c1-4-5-10(12-14-7-9-17(12)2)15-13(19)11-6-8-18(3)16-11/h6-10H,4-5H2,1-3H3,(H,15,19)
InChIKeyZEAZXDVJBXWONB-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.42
Rot. Bonds5

About 1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide

1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide (PubChem CID 122567737) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
PubChem CID122567737
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
SMILESCCCC(NC(=O)c1ccn(C)n1)c1nccn1C
InChIInChI=1S/C13H19N5O/c1-4-5-10(12-14-7-9-17(12)2)15-13(19)11-6-8-18(3)16-11/h6-10H,4-5H2,1-3H3,(H,15,19)
InChIKeyZEAZXDVJBXWONB-UHFFFAOYSA-N
XLogP1.42
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 118793775
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 125435014
5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 122571901
4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide
CID 126427472
3-cyano-N-[1-(1-methylimidazol-2-yl)butyl]benzamide
CID 56738213
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-[1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72921720
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97206271
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178024
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125173578

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide (CID 122567737) is 1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide is CCCC(NC(=O)c1ccn(C)n1)c1nccn1C.
What is the InChIKey of 1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide?
The InChIKey is ZEAZXDVJBXWONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-5-10(12-14-7-9-17(12)2)15-13(19)11-6-8-18(3)16-11/h6-10H,4-5H2,1-3H3,(H,15,19).
What are the key properties of 1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide?
1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide is sourced from PubChem (CID 122567737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).