(2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone

C16H19N5O — CID 167772839

IUPAC(2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
SMILESO=C(c1ccnc(-n2cccn2)c1)N1CC(N2CCCC2)C1
InChIInChI=1S/C16H19N5O/c22-16(20-11-14(12-20)19-7-1-2-8-19)13-4-6-17-15(10-13)21-9-3-5-18-21/h3-6,9-10,14H,1-2,7-8,11-12H2
InChIKeyGNIFPVXHIXVYPV-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.19
Rot. Bonds3

About (2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone

(2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone (PubChem CID 167772839) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
PubChem CID167772839
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
SMILESO=C(c1ccnc(-n2cccn2)c1)N1CC(N2CCCC2)C1
InChIInChI=1S/C16H19N5O/c22-16(20-11-14(12-20)19-7-1-2-8-19)13-4-6-17-15(10-13)21-9-3-5-18-21/h3-6,9-10,14H,1-2,7-8,11-12H2
InChIKeyGNIFPVXHIXVYPV-UHFFFAOYSA-N
XLogP1.19
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
The IUPAC name of (2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone (CID 167772839) is (2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for (2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for (2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone is O=C(c1ccnc(-n2cccn2)c1)N1CC(N2CCCC2)C1.
What is the InChIKey of (2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
The InChIKey is GNIFPVXHIXVYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(20-11-14(12-20)19-7-1-2-8-19)13-4-6-17-15(10-13)21-9-3-5-18-21/h3-6,9-10,14H,1-2,7-8,11-12H2.
What are the key properties of (2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
(2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 167772839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).