N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H22N6O2 — CID 126442194

IUPACN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n(C[C@H](C)NC(=O)c2cc3ncc(CCO)cn3n2)n1
InChIInChI=1S/C17H22N6O2/c1-11-6-13(3)22(20-11)9-12(2)19-17(25)15-7-16-18-8-14(4-5-24)10-23(16)21-15/h6-8,10,12,24H,4-5,9H2,1-3H3,(H,19,25)/t12-/m0/s1
InChIKeyAMEFAUJWLQOYKO-LBPRGKRZSA-N
MW342.40 g/mol
LogP0.90
Rot. Bonds6

About N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 126442194) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID126442194
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n(C[C@H](C)NC(=O)c2cc3ncc(CCO)cn3n2)n1
InChIInChI=1S/C17H22N6O2/c1-11-6-13(3)22(20-11)9-12(2)19-17(25)15-7-16-18-8-14(4-5-24)10-23(16)21-15/h6-8,10,12,24H,4-5,9H2,1-3H3,(H,19,25)/t12-/m0/s1
InChIKeyAMEFAUJWLQOYKO-LBPRGKRZSA-N
XLogP0.90
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 51592360
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 121499041
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CID 95850098
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689
5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496063
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 95122494
4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 95722888
2-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 165474504
1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 51852027

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 126442194) is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n(C[C@H](C)NC(=O)c2cc3ncc(CCO)cn3n2)n1.
What is the InChIKey of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AMEFAUJWLQOYKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-6-13(3)22(20-11)9-12(2)19-17(25)15-7-16-18-8-14(4-5-24)10-23(16)21-15/h6-8,10,12,24H,4-5,9H2,1-3H3,(H,19,25)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 126442194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).