N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C19H27N5O2 — CID 121120534

IUPACN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C19H27N5O2/c1-13-16(14(2)23-22-13)7-8-18(25)20-9-10-24-12-21-17(11-19(24)26)15-5-3-4-6-15/h11-12,15H,3-10H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyZGXKYVSUXYMIJW-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.99
Rot. Bonds7

About N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 121120534) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID121120534
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C19H27N5O2/c1-13-16(14(2)23-22-13)7-8-18(25)20-9-10-24-12-21-17(11-19(24)26)15-5-3-4-6-15/h11-12,15H,3-10H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyZGXKYVSUXYMIJW-UHFFFAOYSA-N
XLogP1.99
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 121120501
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide
CID 71795178
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide
CID 121120312
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 121120234
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 121120374
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 121120406
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121120589
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 121120319
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 97435702
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121120388
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]propanamide
CID 97435127

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 121120534) is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1CCC(=O)NCCn1cnc(C2CCCC2)cc1=O.
What is the InChIKey of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is ZGXKYVSUXYMIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13-16(14(2)23-22-13)7-8-18(25)20-9-10-24-12-21-17(11-19(24)26)15-5-3-4-6-15/h11-12,15H,3-10H2,1-2H3,(H,20,25)(H,22,23).
What are the key properties of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 357.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 121120534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).