3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide

C19H27N5O3 — CID 110091516

IUPAC3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
SMILESCC(=O)N1CCC(c2cc3nc(C)c(CCC(=O)NC(C)C)c(=O)n3[nH]2)C1
InChIInChI=1S/C19H27N5O3/c1-11(2)20-18(26)6-5-15-12(3)21-17-9-16(22-24(17)19(15)27)14-7-8-23(10-14)13(4)25/h9,11,14,22H,5-8,10H2,1-4H3,(H,20,26)
InChIKeyBYYARAIDHYTYMK-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.12
Rot. Bonds5

About 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide

3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide (PubChem CID 110091516) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
PubChem CID110091516
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
SMILESCC(=O)N1CCC(c2cc3nc(C)c(CCC(=O)NC(C)C)c(=O)n3[nH]2)C1
InChIInChI=1S/C19H27N5O3/c1-11(2)20-18(26)6-5-15-12(3)21-17-9-16(22-24(17)19(15)27)14-7-8-23(10-14)13(4)25/h9,11,14,22H,5-8,10H2,1-4H3,(H,20,26)
InChIKeyBYYARAIDHYTYMK-UHFFFAOYSA-N
XLogP1.12
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethyl-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216177
5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214527
5-Cyclopentyl-11-(2-methylpropyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
CID 151850122
5-[[(2R)-1-tert-butylpyrrolidin-2-yl]methyl]-11-ethyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
CID 175699712
7-Isopropyl-2-pyrrolidin-2-yl-5,6,7,8-tetrahydro-1,4,7,9a-tetraaza-cyclopenta[b]naphthalen-9-ol
CID 46949949
N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 46956555
5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46960245
2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46966692
7-Isopropyl-2-pyrrolidin-2-yl-5,6,7,8-tetrahydro-1,4,7,9a-tetraaza-cyclopenta[b]naphthalen-9-ol hydrochloride
CID 71298589
6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 71871981
5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 73439764
5,6-dimethyl-2-pyrrolidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 73440612

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide (CID 110091516) is 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide is CC(=O)N1CCC(c2cc3nc(C)c(CCC(=O)NC(C)C)c(=O)n3[nH]2)C1.
What is the InChIKey of 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The InChIKey is BYYARAIDHYTYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-11(2)20-18(26)6-5-15-12(3)21-17-9-16(22-24(17)19(15)27)14-7-8-23(10-14)13(4)25/h9,11,14,22H,5-8,10H2,1-4H3,(H,20,26).
What are the key properties of 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide has a molecular weight of 373.46 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 110091516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).