N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide

C18H28N4O2 — CID 45188196

IUPACN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NC1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H28N4O2/c1-14-8-10-19-22(14)11-9-17(23)20-15-12-18(24)21(13-15)16-6-4-2-3-5-7-16/h8,10,15-16H,2-7,9,11-13H2,1H3,(H,20,23)
InChIKeyIWBPYIRFKSGSMB-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.02
Rot. Bonds5

About N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 45188196) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID45188196
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NC1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H28N4O2/c1-14-8-10-19-22(14)11-9-17(23)20-15-12-18(24)21(13-15)16-6-4-2-3-5-7-16/h8,10,15-16H,2-7,9,11-13H2,1H3,(H,20,23)
InChIKeyIWBPYIRFKSGSMB-UHFFFAOYSA-N
XLogP2.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(sec-butyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 19555821
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide
CID 6499045
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-2-(3-methyl-1H-pyrazol-1-YL)acetamide
CID 91923159
(1S,11R)-2-[2-(3-methylpyrazol-1-yl)acetyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201270
5-(2-Ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201391
5-(1-Ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201392
3-(1-methyl-1H-pyrazol-5-yl)-N-{2-[(2S)-pyrrolidin-2-yl]ethyl}propanamide
CID 74239729
3-(1-methyl-1H-pyrazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 77094962
N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-4-pyrrolidin-1-ylbutanamide
CID 91770366
1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-4-(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 118786204
(4R,5R)-4-amino-1-methyl-5-(1-methyl-1H-pyrazol-5-yl)pyrrolidin-2-one
CID 119031222
(4R,5R)-4-amino-1-cyclopropyl-5-(1-methyl-1H-pyrazol-5-yl)pyrrolidin-2-one
CID 119056816

Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide (CID 45188196) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1CCC(=O)NC1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is IWBPYIRFKSGSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-8-10-19-22(14)11-9-17(23)20-15-12-18(24)21(13-15)16-6-4-2-3-5-7-16/h8,10,15-16H,2-7,9,11-13H2,1H3,(H,20,23).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide?
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 332.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 45188196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).