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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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).