(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone

C17H27ClN4O — CID 136528172

IUPAC(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2CCCN(C3CCCC3)CC2)c1Cl
InChIInChI=1S/C17H27ClN4O/c1-3-22-16(18)15(13(2)19-22)17(23)21-10-6-9-20(11-12-21)14-7-4-5-8-14/h14H,3-12H2,1-2H3
InChIKeyNNFSYLGQGWXFHQ-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.96
Rot. Bonds3

About (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone

(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone (PubChem CID 136528172) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone
PubChem CID136528172
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC Name(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2CCCN(C3CCCC3)CC2)c1Cl
InChIInChI=1S/C17H27ClN4O/c1-3-22-16(18)15(13(2)19-22)17(23)21-10-6-9-20(11-12-21)14-7-4-5-8-14/h14H,3-12H2,1-2H3
InChIKeyNNFSYLGQGWXFHQ-UHFFFAOYSA-N
XLogP2.96
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590611
[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone
CID 129482363
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
CID 128974424
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 66124677
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769617
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one
CID 55591618
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone
CID 86958432
(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87045188
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
(5-chloro-1,3-dimethylpyrazol-4-yl)-[(4S)-4-methylazepan-1-yl]methanone
CID 95591224
(4-chlorophenyl)-(4-cyclobutyl-1,4-diazepan-1-yl)methanone;hydrochloride
CID 162320465

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone (CID 136528172) is (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone is CCn1nc(C)c(C(=O)N2CCCN(C3CCCC3)CC2)c1Cl.
What is the InChIKey of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone?
The InChIKey is NNFSYLGQGWXFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O/c1-3-22-16(18)15(13(2)19-22)17(23)21-10-6-9-20(11-12-21)14-7-4-5-8-14/h14H,3-12H2,1-2H3.
What are the key properties of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone?
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone has a molecular weight of 338.88 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 136528172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).