6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one

C17H23N5O2 — CID 110114841

IUPAC6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCCC2c2ccnc(=O)[nH]2)n(C)n1
InChIInChI=1S/C17H23N5O2/c1-11(2)9-12-10-15(21(3)20-12)16(23)22-8-4-5-14(22)13-6-7-18-17(24)19-13/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,18,19,24)
InChIKeyDTXWPRMJLCAZNB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.68
Rot. Bonds4

About 6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one

6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one (PubChem CID 110114841) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
PubChem CID110114841
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCCC2c2ccnc(=O)[nH]2)n(C)n1
InChIInChI=1S/C17H23N5O2/c1-11(2)9-12-10-15(21(3)20-12)16(23)22-8-4-5-14(22)13-6-7-18-17(24)19-13/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,18,19,24)
InChIKeyDTXWPRMJLCAZNB-UHFFFAOYSA-N
XLogP1.68
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one with MolForge

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Related Compounds

LmCPB-IN-1
CID 145974244
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162665461
5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
CID 162677250
1-ethyl-3-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 168271910
1-cyclohexyl-3-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 168281707
5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433286
US10022354, Example 35
CID 121271213
US10022354, Example 14
CID 121279552
US10022354, Example 206
CID 121279650
US10022354, Example 34
CID 121279679
N-isopropyl-1'-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 16192070
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 49790489

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one (CID 110114841) is 6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one is CC(C)Cc1cc(C(=O)N2CCCC2c2ccnc(=O)[nH]2)n(C)n1.
What is the InChIKey of 6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is DTXWPRMJLCAZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(2)9-12-10-15(21(3)20-12)16(23)22-8-4-5-14(22)13-6-7-18-17(24)19-13/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,18,19,24).
What are the key properties of 6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110114841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).