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

C14H19N5O — CID 124968986

IUPACN,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1
InChIInChI=1S/C14H19N5O/c1-17(2)14(20)11-8-16-19-12(4-6-15-13(11)19)10-5-7-18(3)9-10/h4,6,8,10H,5,7,9H2,1-3H3/t10-/m0/s1
InChIKeyJFDRAKJHPCLOSE-JTQLQIEISA-N
MW273.34 g/mol
LogP0.85
Rot. Bonds2

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

N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124968986) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124968986
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1
InChIInChI=1S/C14H19N5O/c1-17(2)14(20)11-8-16-19-12(4-6-15-13(11)19)10-5-7-18(3)9-10/h4,6,8,10H,5,7,9H2,1-3H3/t10-/m0/s1
InChIKeyJFDRAKJHPCLOSE-JTQLQIEISA-N
XLogP0.85
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124968986) is N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1.
What is the InChIKey of N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JFDRAKJHPCLOSE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O/c1-17(2)14(20)11-8-16-19-12(4-6-15-13(11)19)10-5-7-18(3)9-10/h4,6,8,10H,5,7,9H2,1-3H3/t10-/m0/s1.
What are the key properties of N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.85, 2 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-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124968986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).