1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole

C20H25N5 — CID 95611766

IUPAC1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
SMILESCc1nn(C)c(C)c1[C@H]1CCCN1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H25N5/c1-15-20(16(2)23(3)22-15)19-6-4-12-24(19)14-17-7-9-18(10-8-17)25-13-5-11-21-25/h5,7-11,13,19H,4,6,12,14H2,1-3H3/t19-/m1/s1
InChIKeyCWOJQBHTIBLETN-LJQANCHMSA-N
MW335.45 g/mol
LogP3.56
Rot. Bonds4

About 1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole

1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole (PubChem CID 95611766) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
PubChem CID95611766
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
SMILESCc1nn(C)c(C)c1[C@H]1CCCN1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H25N5/c1-15-20(16(2)23(3)22-15)19-6-4-12-24(19)14-17-7-9-18(10-8-17)25-13-5-11-21-25/h5,7-11,13,19H,4,6,12,14H2,1-3H3/t19-/m1/s1
InChIKeyCWOJQBHTIBLETN-LJQANCHMSA-N
XLogP3.56
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-trimethyl-4-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
CID 86895587
4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95750793
4-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95611782
3-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122029033
2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
CID 43054216
[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 81492961
1-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrazole
CID 146419273
2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine
CID 95979023
3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 95610205
1-[(4-pyrazol-1-ylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681260
methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027872
N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
CID 63250287

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole?
The IUPAC name of 1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole (CID 95611766) is 1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole is Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole?
The InChIKey is CWOJQBHTIBLETN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N5/c1-15-20(16(2)23(3)22-15)19-6-4-12-24(19)14-17-7-9-18(10-8-17)25-13-5-11-21-25/h5,7-11,13,19H,4,6,12,14H2,1-3H3/t19-/m1/s1.
What are the key properties of 1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole?
1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole has a molecular weight of 335.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole is sourced from PubChem (CID 95611766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).