(2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide

C18H17N5O2 — CID 97082981

IUPAC(2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C18H17N5O2/c19-16(24)15-7-4-10-22(15)18(25)13-11-21-23-14(8-9-20-17(13)23)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15H,4,7,10H2,(H2,19,24)/t15-/m0/s1
InChIKeyHSVXBOVHELWCJV-HNNXBMFYSA-N
MW335.37 g/mol
LogP1.49
Rot. Bonds3

About (2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide

(2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 97082981) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID97082981
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C18H17N5O2/c19-16(24)15-7-4-10-22(15)18(25)13-11-21-23-14(8-9-20-17(13)23)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15H,4,7,10H2,(H2,19,24)/t15-/m0/s1
InChIKeyHSVXBOVHELWCJV-HNNXBMFYSA-N
XLogP1.49
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxypiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 110900762
(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873
ethyl (3S)-1-[7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxylate
CID 93003362
3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55663997
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581
N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110895303
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 46974593
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
CID 154857954
(4-benzylpiperidin-1-yl)-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074606

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide (CID 97082981) is (2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of (2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HSVXBOVHELWCJV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-16(24)15-7-4-10-22(15)18(25)13-11-21-23-14(8-9-20-17(13)23)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15H,4,7,10H2,(H2,19,24)/t15-/m0/s1.
What are the key properties of (2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
(2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 97082981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).