N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H16F2N4O — CID 136567610

IUPACN-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCC1CCC(F)(F)C1)c1cnn2cccnc12
InChIInChI=1S/C14H16F2N4O/c15-14(16)4-2-10(8-14)3-6-18-13(21)11-9-19-20-7-1-5-17-12(11)20/h1,5,7,9-10H,2-4,6,8H2,(H,18,21)
InChIKeyIXXVPTIDAXDAQV-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.28
Rot. Bonds4

About N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136567610) has the molecular formula C14H16F2N4O and a molecular weight of 294.30 g/mol. Its IUPAC name is N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136567610
Molecular FormulaC14H16F2N4O
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC NameN-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCC1CCC(F)(F)C1)c1cnn2cccnc12
InChIInChI=1S/C14H16F2N4O/c15-14(16)4-2-10(8-14)3-6-18-13(21)11-9-19-20-7-1-5-17-12(11)20/h1,5,7,9-10H,2-4,6,8H2,(H,18,21)
InChIKeyIXXVPTIDAXDAQV-UHFFFAOYSA-N
XLogP2.28
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 146136440
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123484761
N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95274740
N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166255196
methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate
CID 165422476
N-[1-(1-adamantyl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414537
[3-(fluoromethyl)azetidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 121188842
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91819112
N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125007820
3-fluoro-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259369

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136567610) is N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCC1CCC(F)(F)C1)c1cnn2cccnc12.
What is the InChIKey of N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IXXVPTIDAXDAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c15-14(16)4-2-10(8-14)3-6-18-13(21)11-9-19-20-7-1-5-17-12(11)20/h1,5,7,9-10H,2-4,6,8H2,(H,18,21).
What are the key properties of N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136567610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).