N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H23N5O — CID 124992229

IUPACN,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)N1CC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1
InChIInChI=1S/C16H23N5O/c1-11(2)20-8-6-12(10-20)14-5-7-17-15-13(9-18-21(14)15)16(22)19(3)4/h5,7,9,11-12H,6,8,10H2,1-4H3/t12-/m0/s1
InChIKeyPPBYCSGVRVVTKC-LBPRGKRZSA-N
MW301.39 g/mol
LogP1.63
Rot. Bonds3

About N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124992229) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124992229
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)N1CC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1
InChIInChI=1S/C16H23N5O/c1-11(2)20-8-6-12(10-20)14-5-7-17-15-13(9-18-21(14)15)16(22)19(3)4/h5,7,9,11-12H,6,8,10H2,1-4H3/t12-/m0/s1
InChIKeyPPBYCSGVRVVTKC-LBPRGKRZSA-N
XLogP1.63
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124968986
7-[(3S)-1-cyclopentylpyrrolidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125000527
N,N-dimethyl-7-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124979301
7-[(3R)-1-cyclopentylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125020255
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125004821
N,N-dimethyl-7-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124941229
7-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124959760
7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124975578
N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101005
N,N-dimethyl-7-[1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110702
N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125023570
N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101042

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124992229) is N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)N1CC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1.
What is the InChIKey of N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PPBYCSGVRVVTKC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11(2)20-8-6-12(10-20)14-5-7-17-15-13(9-18-21(14)15)16(22)19(3)4/h5,7,9,11-12H,6,8,10H2,1-4H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124992229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).