N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C16H21N5O2 — CID 53171793

IUPACN-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(N2CCCC2)n2nccc2n1
InChIInChI=1S/C16H21N5O2/c22-16(17-11-12-4-3-9-23-12)13-10-15(20-7-1-2-8-20)21-14(19-13)5-6-18-21/h5-6,10,12H,1-4,7-9,11H2,(H,17,22)
InChIKeyKBCYZVXPTQPLRU-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.24
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53171793) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53171793
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(N2CCCC2)n2nccc2n1
InChIInChI=1S/C16H21N5O2/c22-16(17-11-12-4-3-9-23-12)13-10-15(20-7-1-2-8-20)21-14(19-13)5-6-18-21/h5-6,10,12H,1-4,7-9,11H2,(H,17,22)
InChIKeyKBCYZVXPTQPLRU-UHFFFAOYSA-N
XLogP1.24
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(tetrahydro-2-furanylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2983143
1-(oxan-4-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 90192080
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide
CID 90192083
6-bromo-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2978527
N-cyclohexyl-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171780
N-cyclopentyl-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171782
N-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171790
N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171796
N-cyclohexyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171797
N-Cyclopentyl-7-(1-pyrrolidinyl)pyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53171801
N-cyclopropyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171806
N~5~-isopropyl-7-(1-pyrrolidinyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171808

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53171793) is N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(NCC1CCCO1)c1cc(N2CCCC2)n2nccc2n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is KBCYZVXPTQPLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-16(17-11-12-4-3-9-23-12)13-10-15(20-7-1-2-8-20)21-14(19-13)5-6-18-21/h5-6,10,12H,1-4,7-9,11H2,(H,17,22).
What are the key properties of N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53171793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).