2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine

C16H23FN4O — CID 129066574

IUPAC2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(COCC2CCCN2)n2nc(CCCF)cc2n1
InChIInChI=1S/C16H23FN4O/c1-12-8-15(11-22-10-14-5-3-7-18-14)21-16(19-12)9-13(20-21)4-2-6-17/h8-9,14,18H,2-7,10-11H2,1H3
InChIKeyAQABDRLKNHIMAV-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.21
Rot. Bonds7

About 2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine

2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 129066574) has the molecular formula C16H23FN4O and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID129066574
Molecular FormulaC16H23FN4O
Molecular Weight306.39 g/mol
Exact Mass306.19
IUPAC Name2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(COCC2CCCN2)n2nc(CCCF)cc2n1
InChIInChI=1S/C16H23FN4O/c1-12-8-15(11-22-10-14-5-3-7-18-14)21-16(19-12)9-13(20-21)4-2-6-17/h8-9,14,18H,2-7,10-11H2,1H3
InChIKeyAQABDRLKNHIMAV-UHFFFAOYSA-N
XLogP2.21
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56902009
N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine
CID 132206710
N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 132206932
N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(1-methoxyethyl)pyrimidin-2-amine
CID 132206987
N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-propan-2-yloxyethyl)pyrimidin-4-amine
CID 132207387
N-(3,3-difluorocyclobutyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 132207734
N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine
CID 139300507
5-Methyl-2-[4-methyl-4-(trifluoromethyl)cyclohexyl]-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 145299269
2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane
CID 162723803
(2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 162723822
(2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 162723848
(2S)-5,5-dimethyl-2-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 162723862

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine (CID 129066574) is 2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(COCC2CCCN2)n2nc(CCCF)cc2n1.
What is the InChIKey of 2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AQABDRLKNHIMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-12-8-15(11-22-10-14-5-3-7-18-14)21-16(19-12)9-13(20-21)4-2-6-17/h8-9,14,18H,2-7,10-11H2,1H3.
What are the key properties of 2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine?
2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 306.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 129066574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).