2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide

C24H32ClN5O2 — CID 38425533

IUPAC2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)CC1
InChIInChI=1S/C24H32ClN5O2/c1-4-28(5-2)22(31)16-27-10-12-29(13-11-27)24(32)20-15-26-30(23(20)18-7-8-18)19-9-6-17(3)21(25)14-19/h6,9,14-15,18H,4-5,7-8,10-13,16H2,1-3H3
InChIKeySMYGWYCYLPLYHW-UHFFFAOYSA-N
MW458.01 g/mol
LogP3.34
Rot. Bonds7

About 2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 38425533) has the molecular formula C24H32ClN5O2 and a molecular weight of 458.01 g/mol. Its IUPAC name is 2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID38425533
Molecular FormulaC24H32ClN5O2
Molecular Weight458.01 g/mol
Exact Mass457.22
IUPAC Name2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)CC1
InChIInChI=1S/C24H32ClN5O2/c1-4-28(5-2)22(31)16-27-10-12-29(13-11-27)24(32)20-15-26-30(23(20)18-7-8-18)19-9-6-17(3)21(25)14-19/h6,9,14-15,18H,4-5,7-8,10-13,16H2,1-3H3
InChIKeySMYGWYCYLPLYHW-UHFFFAOYSA-N
XLogP3.34
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.01
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802149
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402776
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
CID 120656709
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
CID 119412250
(3S,4S)-1-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952735
(3R)-1-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124698115
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-[4-(3-hydroxypropoxy)piperidin-1-yl]methanone
CID 71853509
2-[[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]-methylamino]acetic acid
CID 119172518
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119503054
N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride
CID 119642684
tert-butyl 4-[1-(3,4-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46280613
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide (CID 38425533) is 2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(C(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)CC1.
What is the InChIKey of 2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is SMYGWYCYLPLYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O2/c1-4-28(5-2)22(31)16-27-10-12-29(13-11-27)24(32)20-15-26-30(23(20)18-7-8-18)19-9-6-17(3)21(25)14-19/h6,9,14-15,18H,4-5,7-8,10-13,16H2,1-3H3.
What are the key properties of 2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 458.01 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 38425533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).