1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole

C19H26N4 — CID 74235992

IUPAC1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole
SMILESCn1cc(CN2CCC(N3CCCC3)C2)c(-c2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-21-13-17(19(20-21)16-7-3-2-4-8-16)14-22-12-9-18(15-22)23-10-5-6-11-23/h2-4,7-8,13,18H,5-6,9-12,14-15H2,1H3
InChIKeyHRLJLNBFLBDISZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.76
Rot. Bonds4

About 1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole

1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole (PubChem CID 74235992) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole
PubChem CID74235992
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole
SMILESCn1cc(CN2CCC(N3CCCC3)C2)c(-c2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-21-13-17(19(20-21)16-7-3-2-4-8-16)14-22-12-9-18(15-22)23-10-5-6-11-23/h2-4,7-8,13,18H,5-6,9-12,14-15H2,1H3
InChIKeyHRLJLNBFLBDISZ-UHFFFAOYSA-N
XLogP2.76
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 91796696
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 45251638
ethyl 4-[1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45250547
4-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]thiomorpholine
CID 28957881
1-[1-[[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967804
(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 31106088
(3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine
CID 51633841
2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45172721
2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 55136618
3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 42345611
2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine
CID 154785628
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole?
The IUPAC name of 1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole (CID 74235992) is 1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole?
The canonical SMILES for 1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole is Cn1cc(CN2CCC(N3CCCC3)C2)c(-c2ccccc2)n1.
What is the InChIKey of 1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole?
The InChIKey is HRLJLNBFLBDISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-21-13-17(19(20-21)16-7-3-2-4-8-16)14-22-12-9-18(15-22)23-10-5-6-11-23/h2-4,7-8,13,18H,5-6,9-12,14-15H2,1H3.
What are the key properties of 1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole?
1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole has a molecular weight of 310.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole is sourced from PubChem (CID 74235992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).