(4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C15H19N5O — CID 138993158

IUPAC(4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C15H19N5O/c21-15(14-12-2-1-3-13(12)17-18-14)19-7-4-11(5-8-19)20-9-6-16-10-20/h6,9-11H,1-5,7-8H2,(H,17,18)
InChIKeyKYVQFMMHKOVIKD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.57
Rot. Bonds2

About (4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

(4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 138993158) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID138993158
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C15H19N5O/c21-15(14-12-2-1-3-13(12)17-18-14)19-7-4-11(5-8-19)20-9-6-16-10-20/h6,9-11H,1-5,7-8H2,(H,17,18)
InChIKeyKYVQFMMHKOVIKD-UHFFFAOYSA-N
XLogP1.57
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 138993158) is (4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for (4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for (4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is O=C(c1n[nH]c2c1CCC2)N1CCC(n2ccnc2)CC1.
What is the InChIKey of (4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is KYVQFMMHKOVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(14-12-2-1-3-13(12)17-18-14)19-7-4-11(5-8-19)20-9-6-16-10-20/h6,9-11H,1-5,7-8H2,(H,17,18).
What are the key properties of (4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
(4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 138993158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).