N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide

C11H15N5O — CID 110467498

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCc2c(C)n[nH]c2C)[nH]1
InChIInChI=1S/C11H15N5O/c1-6-9(7(2)16-15-6)4-13-11(17)10-5-12-8(3)14-10/h5H,4H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyVDQHICQGGQLHKP-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.99
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 110467498) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide
PubChem CID110467498
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCc2c(C)n[nH]c2C)[nH]1
InChIInChI=1S/C11H15N5O/c1-6-9(7(2)16-15-6)4-13-11(17)10-5-12-8(3)14-10/h5H,4H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyVDQHICQGGQLHKP-UHFFFAOYSA-N
XLogP0.99
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide (CID 110467498) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)NCc2c(C)n[nH]c2C)[nH]1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is VDQHICQGGQLHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-6-9(7(2)16-15-6)4-13-11(17)10-5-12-8(3)14-10/h5H,4H2,1-3H3,(H,12,14)(H,13,17)(H,15,16).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110467498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).