N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide

C9H11N5O — CID 103725235

IUPACN-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCc2cnc[nH]2)n1
InChIInChI=1S/C9H11N5O/c1-14-3-2-8(13-14)9(15)11-5-7-4-10-6-12-7/h2-4,6H,5H2,1H3,(H,10,12)(H,11,15)
InChIKeyJRIRCWXLMHININ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.07
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide

N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 103725235) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
PubChem CID103725235
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCc2cnc[nH]2)n1
InChIInChI=1S/C9H11N5O/c1-14-3-2-8(13-14)9(15)11-5-7-4-10-6-12-7/h2-4,6H,5H2,1H3,(H,10,12)(H,11,15)
InChIKeyJRIRCWXLMHININ-UHFFFAOYSA-N
XLogP0.07
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
CID 113258424
6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide
CID 106551379
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide
CID 82815562
N-[(3-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103116186
N-(2-cyanoethyl)-1-methylpyrazole-3-carboxamide
CID 103117795
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79883820
3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide
CID 80641974

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide (CID 103725235) is N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NCc2cnc[nH]2)n1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is JRIRCWXLMHININ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-14-3-2-8(13-14)9(15)11-5-7-4-10-6-12-7/h2-4,6H,5H2,1H3,(H,10,12)(H,11,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide?
N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103725235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).