5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C13H18N6O — CID 97217770

IUPAC5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@@H]2CCCN(Cc3ncc[nH]3)C2)[nH]n1
InChIInChI=1S/C13H18N6O/c14-13(20)11-6-10(17-18-11)9-2-1-5-19(7-9)8-12-15-3-4-16-12/h3-4,6,9H,1-2,5,7-8H2,(H2,14,20)(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyKTIONNBCWTZHTP-SECBINFHSA-N
MW274.33 g/mol
LogP0.61
Rot. Bonds4

About 5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 97217770) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID97217770
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@@H]2CCCN(Cc3ncc[nH]3)C2)[nH]n1
InChIInChI=1S/C13H18N6O/c14-13(20)11-6-10(17-18-11)9-2-1-5-19(7-9)8-12-15-3-4-16-12/h3-4,6,9H,1-2,5,7-8H2,(H2,14,20)(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyKTIONNBCWTZHTP-SECBINFHSA-N
XLogP0.61
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 97217770) is 5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc([C@@H]2CCCN(Cc3ncc[nH]3)C2)[nH]n1.
What is the InChIKey of 5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is KTIONNBCWTZHTP-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N6O/c14-13(20)11-6-10(17-18-11)9-2-1-5-19(7-9)8-12-15-3-4-16-12/h3-4,6,9H,1-2,5,7-8H2,(H2,14,20)(H,15,16)(H,17,18)/t9-/m1/s1.
What are the key properties of 5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97217770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).