N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide

C13H17N5O2 — CID 167972971

IUPACN-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cnc(C)[nH]2)c1
InChIInChI=1S/C13H17N5O2/c1-7-4-15-18(6-7)12-9(3-11(12)19)17-13(20)10-5-14-8(2)16-10/h4-6,9,11-12,19H,3H2,1-2H3,(H,14,16)(H,17,20)/t9-,11+,12+/m0/s1
InChIKeySJUHDDWHNYVQFY-MVWJERBFSA-N
MW275.31 g/mol
LogP0.33
Rot. Bonds3

About N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide

N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 167972971) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide
PubChem CID167972971
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cnc(C)[nH]2)c1
InChIInChI=1S/C13H17N5O2/c1-7-4-15-18(6-7)12-9(3-11(12)19)17-13(20)10-5-14-8(2)16-10/h4-6,9,11-12,19H,3H2,1-2H3,(H,14,16)(H,17,20)/t9-,11+,12+/m0/s1
InChIKeySJUHDDWHNYVQFY-MVWJERBFSA-N
XLogP0.33
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide (CID 167972971) is N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide is Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cnc(C)[nH]2)c1.
What is the InChIKey of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is SJUHDDWHNYVQFY-MVWJERBFSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7-4-15-18(6-7)12-9(3-11(12)19)17-13(20)10-5-14-8(2)16-10/h4-6,9,11-12,19H,3H2,1-2H3,(H,14,16)(H,17,20)/t9-,11+,12+/m0/s1.
What are the key properties of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide?
N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167972971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).