7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine

C18H19ClN4O — CID 95891689

IUPAC7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CC[C@@H](c3ccccc3Cl)C2)n2nccc2n1
InChIInChI=1S/C18H19ClN4O/c1-24-12-14-10-18(23-17(21-14)6-8-20-23)22-9-7-13(11-22)15-4-2-3-5-16(15)19/h2-6,8,10,13H,7,9,11-12H2,1H3/t13-/m1/s1
InChIKeyNSTFVAQHJITKBB-CYBMUJFWSA-N
MW342.83 g/mol
LogP3.52
Rot. Bonds4

About 7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine

7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 95891689) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID95891689
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CC[C@@H](c3ccccc3Cl)C2)n2nccc2n1
InChIInChI=1S/C18H19ClN4O/c1-24-12-14-10-18(23-17(21-14)6-8-20-23)22-9-7-13(11-22)15-4-2-3-5-16(15)19/h2-6,8,10,13H,7,9,11-12H2,1H3/t13-/m1/s1
InChIKeyNSTFVAQHJITKBB-CYBMUJFWSA-N
XLogP3.52
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 95882577
[(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 95882578
[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine
CID 56888286
7-[(3R)-3-methoxypyrrolidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 95861445
7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274031
7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine
CID 95708915
7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 97136163
2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 56883063
4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136847948
2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
CID 56917535
5-(methoxymethyl)-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874378
2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole
CID 155942033

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine (CID 95891689) is 7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine is COCc1cc(N2CC[C@@H](c3ccccc3Cl)C2)n2nccc2n1.
What is the InChIKey of 7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NSTFVAQHJITKBB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-24-12-14-10-18(23-17(21-14)6-8-20-23)22-9-7-13(11-22)15-4-2-3-5-16(15)19/h2-6,8,10,13H,7,9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of 7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 342.83 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95891689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).