3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide

C13H17N5O — CID 138005316

IUPAC3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C)nc1C1CC1)c1ncc[nH]1
InChIInChI=1S/C13H17N5O/c1-8(12-14-5-6-15-12)16-13(19)10-7-18(2)17-11(10)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,14,15)(H,16,19)/t8-/m1/s1
InChIKeyYEEQWWJLMMXRCA-MRVPVSSYSA-N
MW259.31 g/mol
LogP1.51
Rot. Bonds4

About 3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide

3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 138005316) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID138005316
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C)nc1C1CC1)c1ncc[nH]1
InChIInChI=1S/C13H17N5O/c1-8(12-14-5-6-15-12)16-13(19)10-7-18(2)17-11(10)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,14,15)(H,16,19)/t8-/m1/s1
InChIKeyYEEQWWJLMMXRCA-MRVPVSSYSA-N
XLogP1.51
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide (CID 138005316) is 3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide is C[C@@H](NC(=O)c1cn(C)nc1C1CC1)c1ncc[nH]1.
What is the InChIKey of 3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is YEEQWWJLMMXRCA-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8(12-14-5-6-15-12)16-13(19)10-7-18(2)17-11(10)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,14,15)(H,16,19)/t8-/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide?
3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 138005316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).