N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H21N5O2 — CID 124974777

IUPACN-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](c2ccnc3c(C(=O)NC)cnn23)C1
InChIInChI=1S/C16H21N5O2/c1-3-14(22)20-8-4-5-11(10-20)13-6-7-18-15-12(16(23)17-2)9-19-21(13)15/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,23)/t11-/m1/s1
InChIKeyKSXJNQUBCYIJKV-LLVKDONJSA-N
MW315.38 g/mol
LogP1.20
Rot. Bonds3

About N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124974777) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124974777
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](c2ccnc3c(C(=O)NC)cnn23)C1
InChIInChI=1S/C16H21N5O2/c1-3-14(22)20-8-4-5-11(10-20)13-6-7-18-15-12(16(23)17-2)9-19-21(13)15/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,23)/t11-/m1/s1
InChIKeyKSXJNQUBCYIJKV-LLVKDONJSA-N
XLogP1.20
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(1-acetylpiperidin-3-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101018
7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124942504
N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110597
N-methyl-7-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124964829
N-methyl-7-[(3S)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124987425
N-methyl-7-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124952194
N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124985983
7-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124959760
N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125015720
7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124984962
N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110592
N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124985846

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124974777) is N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(=O)N1CCC[C@@H](c2ccnc3c(C(=O)NC)cnn23)C1.
What is the InChIKey of N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KSXJNQUBCYIJKV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-14(22)20-8-4-5-11(10-20)13-6-7-18-15-12(16(23)17-2)9-19-21(13)15/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,23)/t11-/m1/s1.
What are the key properties of N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124974777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).