(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone

C16H25N3O — CID 79060145

IUPAC(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESCCCn1nccc1C(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H25N3O/c1-2-11-19-14(7-10-17-19)15(20)16(8-3-4-9-16)18-12-5-6-13-18/h7,10H,2-6,8-9,11-13H2,1H3
InChIKeyDWZRCQZFTRCSMP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.88
Rot. Bonds5

About (2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone

(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone (PubChem CID 79060145) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
PubChem CID79060145
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESCCCn1nccc1C(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H25N3O/c1-2-11-19-14(7-10-17-19)15(20)16(8-3-4-9-16)18-12-5-6-13-18/h7,10H,2-6,8-9,11-13H2,1H3
InChIKeyDWZRCQZFTRCSMP-UHFFFAOYSA-N
XLogP2.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
CID 104610116
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116748199
[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
CID 79066194
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
2-propylpyrazole-3-carboxylic acid
CID 7017775
(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 116580459
(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanone
CID 63975501
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116750146
(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone
CID 114284479
2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058694
(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
CID 114972401

Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The IUPAC name of (2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone (CID 79060145) is (2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for (2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The canonical SMILES for (2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone is CCCn1nccc1C(=O)C1(N2CCCC2)CCCC1.
What is the InChIKey of (2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The InChIKey is DWZRCQZFTRCSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-11-19-14(7-10-17-19)15(20)16(8-3-4-9-16)18-12-5-6-13-18/h7,10H,2-6,8-9,11-13H2,1H3.
What are the key properties of (2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 79060145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).