(4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone

C12H19ClN4O — CID 6466398

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C12H19ClN4O/c1-3-4-16-5-7-17(8-6-16)12(18)11-10(13)9-14-15(11)2/h9H,3-8H2,1-2H3
InChIKeyDQVFERHDIUAEEB-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.24
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 6466398) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
PubChem CID6466398
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C12H19ClN4O/c1-3-4-16-5-7-17(8-6-16)12(18)11-10(13)9-14-15(11)2/h9H,3-8H2,1-2H3
InChIKeyDQVFERHDIUAEEB-UHFFFAOYSA-N
XLogP1.24
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
(4-Chloro-2-methylpyrazol-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6464556
ethyl 4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinecarboxylate
CID 842664
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903070
4-Chloro-1-methylpyrazol-5-yl 2-methylpiperidyl ketone
CID 3569167
4-chloro-N-cycloheptyl-1-methyl-1H-pyrazole-3-carboxamide
CID 892375
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19263348
4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263350
4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
CID 19263505

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone (CID 6466398) is (4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2c(Cl)cnn2C)CC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is DQVFERHDIUAEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-3-4-16-5-7-17(8-6-16)12(18)11-10(13)9-14-15(11)2/h9H,3-8H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 270.76 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 6466398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).