N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C16H24N4O2 — CID 129004093

IUPACN-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C2CCN(C(=O)C3CCCCC3)C2)n1
InChIInChI=1S/C16H24N4O2/c1-12(21)17-15-8-10-20(18-15)14-7-9-19(11-14)16(22)13-5-3-2-4-6-13/h8,10,13-14H,2-7,9,11H2,1H3,(H,17,18,21)
InChIKeySGSQGOVJDADIOZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.20
Rot. Bonds3

About N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129004093) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129004093
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C2CCN(C(=O)C3CCCCC3)C2)n1
InChIInChI=1S/C16H24N4O2/c1-12(21)17-15-8-10-20(18-15)14-7-9-19(11-14)16(22)13-5-3-2-4-6-13/h8,10,13-14H,2-7,9,11H2,1H3,(H,17,18,21)
InChIKeySGSQGOVJDADIOZ-UHFFFAOYSA-N
XLogP2.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129004093) is N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C2CCN(C(=O)C3CCCCC3)C2)n1.
What is the InChIKey of N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is SGSQGOVJDADIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(21)17-15-8-10-20(18-15)14-7-9-19(11-14)16(22)13-5-3-2-4-6-13/h8,10,13-14H,2-7,9,11H2,1H3,(H,17,18,21).
What are the key properties of N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129004093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).