4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole

C14H17N3 — CID 64687894

IUPAC4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole
SMILESCC1CNC(c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C14H17N3/c1-11-7-14(15-8-11)12-9-16-17(10-12)13-5-3-2-4-6-13/h2-6,9-11,14-15H,7-8H2,1H3
InChIKeyFODLVXCEPRGTER-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.54
Rot. Bonds2

About 4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole

4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole (PubChem CID 64687894) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole
PubChem CID64687894
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole
SMILESCC1CNC(c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C14H17N3/c1-11-7-14(15-8-11)12-9-16-17(10-12)13-5-3-2-4-6-13/h2-6,9-11,14-15H,7-8H2,1H3
InChIKeyFODLVXCEPRGTER-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-2-phenylpyrrolidine
CID 142973679
trans-(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 170910890
4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole
CID 81350650
N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 62708561
1-methyl-5-(1-phenylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79510472
4-(4-nitropyrazolidin-3-yl)-1-phenylpyrazole
CID 78200143
2-ethyl-2-methyl-3-(1-phenylpyrazol-4-yl)cyclobutan-1-one
CID 81414983
5-[1-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 81451490
(5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
CID 58126784
8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 42886890
2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol
CID 79333368
1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484974

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole?
The IUPAC name of 4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole (CID 64687894) is 4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole.
What is the SMILES notation for 4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole?
The canonical SMILES for 4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole is CC1CNC(c2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of 4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole?
The InChIKey is FODLVXCEPRGTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-7-14(15-8-11)12-9-16-17(10-12)13-5-3-2-4-6-13/h2-6,9-11,14-15H,7-8H2,1H3.
What are the key properties of 4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole?
4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole has a molecular weight of 227.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole is sourced from PubChem (CID 64687894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).