(5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone

C17H29N3O — CID 86966485

IUPAC(5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(C)CCC2C(C)C)n[nH]1
InChIInChI=1S/C17H29N3O/c1-5-6-14-11-15(19-18-14)17(21)20-10-9-13(4)7-8-16(20)12(2)3/h11-13,16H,5-10H2,1-4H3,(H,18,19)
InChIKeyZHXDYSONYUCNHT-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.65
Rot. Bonds4

About (5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone

(5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 86966485) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID86966485
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(C)CCC2C(C)C)n[nH]1
InChIInChI=1S/C17H29N3O/c1-5-6-14-11-15(19-18-14)17(21)20-10-9-13(4)7-8-16(20)12(2)3/h11-13,16H,5-10H2,1-4H3,(H,18,19)
InChIKeyZHXDYSONYUCNHT-UHFFFAOYSA-N
XLogP3.65
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-ethylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 36703026
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 37314651
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70754396
5-amino-6-[(2S,5R)-5-methyl-2-propan-2-ylazepane-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95930717
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 86824416
(5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818111
[(2S)-2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 100619429
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70737317
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 95605583
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 51872024
[5-(5-fluoro-1H-pyrazole-3-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 166380867
(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 70762389

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone (CID 86966485) is (5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCC(C)CCC2C(C)C)n[nH]1.
What is the InChIKey of (5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is ZHXDYSONYUCNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-6-14-11-15(19-18-14)17(21)20-10-9-13(4)7-8-16(20)12(2)3/h11-13,16H,5-10H2,1-4H3,(H,18,19).
What are the key properties of (5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
(5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 291.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 86966485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).