(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone

C14H20ClN3O — CID 64979326

IUPAC(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)cn2C2CC2)C(C)CN1
InChIInChI=1S/C14H20ClN3O/c1-9-7-17(10(2)6-16-9)14(19)13-5-11(15)8-18(13)12-3-4-12/h5,8-10,12,16H,3-4,6-7H2,1-2H3
InChIKeyRZXBCPNMOZIPMF-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.30
Rot. Bonds2

About (4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone

(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone (PubChem CID 64979326) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
PubChem CID64979326
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)cn2C2CC2)C(C)CN1
InChIInChI=1S/C14H20ClN3O/c1-9-7-17(10(2)6-16-9)14(19)13-5-11(15)8-18(13)12-3-4-12/h5,8-10,12,16H,3-4,6-7H2,1-2H3
InChIKeyRZXBCPNMOZIPMF-UHFFFAOYSA-N
XLogP2.30
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone (CID 64979326) is (4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc(Cl)cn2C2CC2)C(C)CN1.
What is the InChIKey of (4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is RZXBCPNMOZIPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9-7-17(10(2)6-16-9)14(19)13-5-11(15)8-18(13)12-3-4-12/h5,8-10,12,16H,3-4,6-7H2,1-2H3.
What are the key properties of (4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 281.79 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 64979326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).