(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C17H21N5O — CID 47023640

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C17H21N5O/c23-17(16-11-15(19-20-16)14-1-2-14)22-9-7-21(8-10-22)12-13-3-5-18-6-4-13/h3-6,11,14H,1-2,7-10,12H2,(H,19,20)
InChIKeyKHYQCPCYYIBWAK-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.64
Rot. Bonds4

About (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 47023640) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID47023640
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C17H21N5O/c23-17(16-11-15(19-20-16)14-1-2-14)22-9-7-21(8-10-22)12-13-3-5-18-6-4-13/h3-6,11,14H,1-2,7-10,12H2,(H,19,20)
InChIKeyKHYQCPCYYIBWAK-UHFFFAOYSA-N
XLogP1.64
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 47023640) is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is KHYQCPCYYIBWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(16-11-15(19-20-16)14-1-2-14)22-9-7-21(8-10-22)12-13-3-5-18-6-4-13/h3-6,11,14H,1-2,7-10,12H2,(H,19,20).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 47023640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).