(4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

C17H27ClN4O — CID 53193392

IUPAC(4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCCCC2CCN2CCCC2)n1
InChIInChI=1S/C17H27ClN4O/c1-2-21-13-15(18)16(19-21)17(23)22-11-4-3-7-14(22)8-12-20-9-5-6-10-20/h13-14H,2-12H2,1H3
InChIKeyNZNJPWCWLUZIOO-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.04
Rot. Bonds5

About (4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

(4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 53193392) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID53193392
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC Name(4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCCCC2CCN2CCCC2)n1
InChIInChI=1S/C17H27ClN4O/c1-2-21-13-15(18)16(19-21)17(23)22-11-4-3-7-14(22)8-12-20-9-5-6-10-20/h13-14H,2-12H2,1H3
InChIKeyNZNJPWCWLUZIOO-UHFFFAOYSA-N
XLogP3.04
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (CID 53193392) is (4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is CCn1cc(Cl)c(C(=O)N2CCCCC2CCN2CCCC2)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is NZNJPWCWLUZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O/c1-2-21-13-15(18)16(19-21)17(23)22-11-4-3-7-14(22)8-12-20-9-5-6-10-20/h13-14H,2-12H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
(4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 338.88 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53193392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).