[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C14H20N6O — CID 121279685

IUPAC[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cn(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)nn1
InChIInChI=1S/C14H20N6O/c1-9(2)12-6-13(17-16-12)14(21)19-5-4-11(8-19)20-7-10(3)15-18-20/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyWQRNKDNUTZJPOS-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.52
Rot. Bonds3

About [3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279685) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is [3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279685
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cn(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)nn1
InChIInChI=1S/C14H20N6O/c1-9(2)12-6-13(17-16-12)14(21)19-5-4-11(8-19)20-7-10(3)15-18-20/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyWQRNKDNUTZJPOS-UHFFFAOYSA-N
XLogP1.52
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279685) is [3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1cn(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)nn1.
What is the InChIKey of [3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is WQRNKDNUTZJPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9(2)12-6-13(17-16-12)14(21)19-5-4-11(8-19)20-7-10(3)15-18-20/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of [3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 288.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).