4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline

C16H17N5 — CID 95338499

IUPAC4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
SMILESc1ccc2c(N3CCC[C@@H]3Cn3cccn3)ncnc2c1
InChIInChI=1S/C16H17N5/c1-2-7-15-14(6-1)16(18-12-17-15)21-10-3-5-13(21)11-20-9-4-8-19-20/h1-2,4,6-9,12-13H,3,5,10-11H2/t13-/m1/s1
InChIKeySGRHGCXICSHJRU-CYBMUJFWSA-N
MW279.35 g/mol
LogP2.50
Rot. Bonds3

About 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline

4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline (PubChem CID 95338499) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
PubChem CID95338499
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
SMILESc1ccc2c(N3CCC[C@@H]3Cn3cccn3)ncnc2c1
InChIInChI=1S/C16H17N5/c1-2-7-15-14(6-1)16(18-12-17-15)21-10-3-5-13(21)11-20-9-4-8-19-20/h1-2,4,6-9,12-13H,3,5,10-11H2/t13-/m1/s1
InChIKeySGRHGCXICSHJRU-CYBMUJFWSA-N
XLogP2.50
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 56778077
N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 62591283
N-methyl-1-(1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 62586937
6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95308098
2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile
CID 133333339
(4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 115963850
2-thiophen-3-yl-4-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
CID 75370030
5-methyl-3-[(2R)-1-quinazolin-4-ylpyrrolidin-2-yl]-1,2-oxazole
CID 39998438
2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 56778071
4-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoline
CID 99837183
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline?
The IUPAC name of 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline (CID 95338499) is 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline?
The canonical SMILES for 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline is c1ccc2c(N3CCC[C@@H]3Cn3cccn3)ncnc2c1.
What is the InChIKey of 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline?
The InChIKey is SGRHGCXICSHJRU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-7-15-14(6-1)16(18-12-17-15)21-10-3-5-13(21)11-20-9-4-8-19-20/h1-2,4,6-9,12-13H,3,5,10-11H2/t13-/m1/s1.
What are the key properties of 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline?
4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline has a molecular weight of 279.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 95338499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).