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

C21H25N5O — CID 121279611

IUPAC[3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nn(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1-c1ccccc1
InChIInChI=1S/C21H25N5O/c1-14(2)19-11-20(23-22-19)21(27)25-10-9-17(12-25)26-13-18(15(3)24-26)16-7-5-4-6-8-16/h4-8,11,13-14,17H,9-10,12H2,1-3H3,(H,22,23)
InChIKeyJYGLOSGEBUWLCI-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.79
Rot. Bonds4

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

[3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279611) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is [3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279611
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name[3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nn(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1-c1ccccc1
InChIInChI=1S/C21H25N5O/c1-14(2)19-11-20(23-22-19)21(27)25-10-9-17(12-25)26-13-18(15(3)24-26)16-7-5-4-6-8-16/h4-8,11,13-14,17H,9-10,12H2,1-3H3,(H,22,23)
InChIKeyJYGLOSGEBUWLCI-UHFFFAOYSA-N
XLogP3.79
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279611) is [3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1nn(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1-c1ccccc1.
What is the InChIKey of [3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is JYGLOSGEBUWLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14(2)19-11-20(23-22-19)21(27)25-10-9-17(12-25)26-13-18(15(3)24-26)16-7-5-4-6-8-16/h4-8,11,13-14,17H,9-10,12H2,1-3H3,(H,22,23).
What are the key properties of [3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 363.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-4-phenylpyrazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).