3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C12H13ClN4O2 — CID 2983143

IUPAC3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1nn2cccnc2c1Cl
InChIInChI=1S/C12H13ClN4O2/c13-9-10(16-17-5-2-4-14-11(9)17)12(18)15-7-8-3-1-6-19-8/h2,4-5,8H,1,3,6-7H2,(H,15,18)
InChIKeyZBEYAOBLGIWZMD-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.29
Rot. Bonds3

About 3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2983143) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.71 g/mol. Its IUPAC name is 3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2983143
Molecular FormulaC12H13ClN4O2
Molecular Weight280.71 g/mol
Exact Mass280.07
IUPAC Name3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1nn2cccnc2c1Cl
InChIInChI=1S/C12H13ClN4O2/c13-9-10(16-17-5-2-4-14-11(9)17)12(18)15-7-8-3-1-6-19-8/h2,4-5,8H,1,3,6-7H2,(H,15,18)
InChIKeyZBEYAOBLGIWZMD-UHFFFAOYSA-N
XLogP1.29
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2237560
3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2980781
6-bromo-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2978527
3-chloro-N-[cis-4-(cyclopropylmethoxy)tetrahydro-2H-pyran-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91791233
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 125526078
3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19332320
3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451469
7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19457924
N-[(5,5-dimethyloxolan-2-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 145878995
Sdccgsbi-0659005.P001
CID 53171793
6-(2-chloroethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4454047

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2983143) is 3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCC1CCCO1)c1nn2cccnc2c1Cl.
What is the InChIKey of 3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZBEYAOBLGIWZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c13-9-10(16-17-5-2-4-14-11(9)17)12(18)15-7-8-3-1-6-19-8/h2,4-5,8H,1,3,6-7H2,(H,15,18).
What are the key properties of 3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 280.71 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2983143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).