(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone

C12H16ClN3O — CID 56820747

IUPAC(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H16ClN3O/c13-9-7-11(14-8-9)12(17)16-5-3-15(4-6-16)10-1-2-10/h7-8,10,14H,1-6H2
InChIKeyQWANQNGMNXVYGF-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.59
Rot. Bonds2

About (4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone

(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 56820747) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID56820747
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H16ClN3O/c13-9-7-11(14-8-9)12(17)16-5-3-15(4-6-16)10-1-2-10/h7-8,10,14H,1-6H2
InChIKeyQWANQNGMNXVYGF-UHFFFAOYSA-N
XLogP1.59
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706740
(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 62068437
(4-chloro-1H-pyrrol-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38479790
(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone
CID 65417892
[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 32523893
(4-chloro-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746683
(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535398
(4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 61114248
(4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone
CID 146077401
(4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18143112
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 56816482
1-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490144

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone (CID 56820747) is (4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone is O=C(c1cc(Cl)c[nH]1)N1CCN(C2CC2)CC1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is QWANQNGMNXVYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-9-7-11(14-8-9)12(17)16-5-3-15(4-6-16)10-1-2-10/h7-8,10,14H,1-6H2.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 56820747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).