N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H16F2N5OP — CID 134386392

IUPACN-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(F)(F)P)c1cnn2ccc(N3CCCC3)nc12
InChIInChI=1S/C13H16F2N5OP/c14-13(15,22)8-16-12(21)9-7-17-20-6-3-10(18-11(9)20)19-4-1-2-5-19/h3,6-7H,1-2,4-5,8,22H2,(H,16,21)
InChIKeyRRSCIJSCWQSGKW-UHFFFAOYSA-N
MW327.28 g/mol
LogP1.53
Rot. Bonds4

About N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134386392) has the molecular formula C13H16F2N5OP and a molecular weight of 327.28 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134386392
Molecular FormulaC13H16F2N5OP
Molecular Weight327.28 g/mol
Exact Mass327.11
IUPAC NameN-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(F)(F)P)c1cnn2ccc(N3CCCC3)nc12
InChIInChI=1S/C13H16F2N5OP/c14-13(15,22)8-16-12(21)9-7-17-20-6-3-10(18-11(9)20)19-4-1-2-5-19/h3,6-7H,1-2,4-5,8,22H2,(H,16,21)
InChIKeyRRSCIJSCWQSGKW-UHFFFAOYSA-N
XLogP1.53
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 170379383
5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142589408
acetylene;ethyl 5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589568
N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 159646006
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274061
5-(4-methylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516638
1-[5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 157339662
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
N-(4-bromothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516671
N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 162266155
2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119249566
3-propyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 134386294

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134386392) is N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCC(F)(F)P)c1cnn2ccc(N3CCCC3)nc12.
What is the InChIKey of N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RRSCIJSCWQSGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N5OP/c14-13(15,22)8-16-12(21)9-7-17-20-6-3-10(18-11(9)20)19-4-1-2-5-19/h3,6-7H,1-2,4-5,8,22H2,(H,16,21).
What are the key properties of N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 327.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134386392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).