[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

C15H18N4O — CID 119412099

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CC[C@@H](N)C2)cnn1-c1ccccc1
InChIInChI=1S/C15H18N4O/c1-11-14(15(20)18-8-7-12(16)10-18)9-17-19(11)13-5-3-2-4-6-13/h2-6,9,12H,7-8,10,16H2,1H3/t12-/m1/s1
InChIKeyUGWPHBFCHJJHOH-GFCCVEGCSA-N
MW270.34 g/mol
LogP1.35
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 119412099) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID119412099
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CC[C@@H](N)C2)cnn1-c1ccccc1
InChIInChI=1S/C15H18N4O/c1-11-14(15(20)18-8-7-12(16)10-18)9-17-19(11)13-5-3-2-4-6-13/h2-6,9,12H,7-8,10,16H2,1H3/t12-/m1/s1
InChIKeyUGWPHBFCHJJHOH-GFCCVEGCSA-N
XLogP1.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (CID 119412099) is [(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CC[C@@H](N)C2)cnn1-c1ccccc1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is UGWPHBFCHJJHOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-14(15(20)18-8-7-12(16)10-18)9-17-19(11)13-5-3-2-4-6-13/h2-6,9,12H,7-8,10,16H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 119412099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).