3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C14H19N5O — CID 125002954

IUPAC3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1ccnc1)N1CCCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C14H19N5O/c20-14(5-9-18-10-7-15-11-18)19-8-2-1-3-13(19)12-4-6-16-17-12/h4,6-7,10-11,13H,1-3,5,8-9H2,(H,16,17)/t13-/m1/s1
InChIKeySNZVPAXJHMRZEY-CYBMUJFWSA-N
MW273.34 g/mol
LogP1.75
Rot. Bonds4

About 3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 125002954) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID125002954
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1ccnc1)N1CCCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C14H19N5O/c20-14(5-9-18-10-7-15-11-18)19-8-2-1-3-13(19)12-4-6-16-17-12/h4,6-7,10-11,13H,1-3,5,8-9H2,(H,16,17)/t13-/m1/s1
InChIKeySNZVPAXJHMRZEY-CYBMUJFWSA-N
XLogP1.75
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 125002954) is 3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is O=C(CCn1ccnc1)N1CCCC[C@@H]1c1ccn[nH]1.
What is the InChIKey of 3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is SNZVPAXJHMRZEY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N5O/c20-14(5-9-18-10-7-15-11-18)19-8-2-1-3-13(19)12-4-6-16-17-12/h4,6-7,10-11,13H,1-3,5,8-9H2,(H,16,17)/t13-/m1/s1.
What are the key properties of 3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 273.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 125002954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).