(4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

C14H18ClN5O — CID 47525513

IUPAC(4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C14H18ClN5O/c15-12-10-13(16-11-12)14(21)19-7-4-18(5-8-19)6-9-20-3-1-2-17-20/h1-3,10-11,16H,4-9H2
InChIKeyOLHVKVAHFYLUCX-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.32
Rot. Bonds4

About (4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 47525513) has the molecular formula C14H18ClN5O and a molecular weight of 307.78 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID47525513
Molecular FormulaC14H18ClN5O
Molecular Weight307.78 g/mol
Exact Mass307.12
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C14H18ClN5O/c15-12-10-13(16-11-12)14(21)19-7-4-18(5-8-19)6-9-20-3-1-2-17-20/h1-3,10-11,16H,4-9H2
InChIKeyOLHVKVAHFYLUCX-UHFFFAOYSA-N
XLogP1.32
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
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(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (CID 47525513) is (4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone is O=C(c1cc(Cl)c[nH]1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is OLHVKVAHFYLUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c15-12-10-13(16-11-12)14(21)19-7-4-18(5-8-19)6-9-20-3-1-2-17-20/h1-3,10-11,16H,4-9H2.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 307.78 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 47525513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).