N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine

C25H33N5 — CID 51623338

IUPACN-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1cc(C)cc(C)c1-n1cccn1
InChIInChI=1S/C25H33N5/c1-4-29-12-6-9-24(29)19-28(17-22-8-5-10-26-16-22)18-23-15-20(2)14-21(3)25(23)30-13-7-11-27-30/h5,7-8,10-11,13-16,24H,4,6,9,12,17-19H2,1-3H3/t24-/m1/s1
InChIKeyFVHKSHORBNIDHT-XMMPIXPASA-N
MW403.57 g/mol
LogP4.37
Rot. Bonds8

About N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine

N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 51623338) has the molecular formula C25H33N5 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID51623338
Molecular FormulaC25H33N5
Molecular Weight403.57 g/mol
Exact Mass403.27
IUPAC NameN-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1cc(C)cc(C)c1-n1cccn1
InChIInChI=1S/C25H33N5/c1-4-29-12-6-9-24(29)19-28(17-22-8-5-10-26-16-22)18-23-15-20(2)14-21(3)25(23)30-13-7-11-27-30/h5,7-8,10-11,13-16,24H,4,6,9,12,17-19H2,1-3H3/t24-/m1/s1
InChIKeyFVHKSHORBNIDHT-XMMPIXPASA-N
XLogP4.37
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46953709
1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 43818095
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(6-methoxy-2H-chromen-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 51595316
N-[(2-chlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 46961800
N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51623399
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 79313456
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-4-amine
CID 104778534
2-[[(1-ethylpyrrolidin-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 16676879
5-[(2S)-1-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31162447
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171398

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine (CID 51623338) is N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine is CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1cc(C)cc(C)c1-n1cccn1.
What is the InChIKey of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is FVHKSHORBNIDHT-XMMPIXPASA-N. The full InChI is InChI=1S/C25H33N5/c1-4-29-12-6-9-24(29)19-28(17-22-8-5-10-26-16-22)18-23-15-20(2)14-21(3)25(23)30-13-7-11-27-30/h5,7-8,10-11,13-16,24H,4,6,9,12,17-19H2,1-3H3/t24-/m1/s1.
What are the key properties of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 403.57 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 51623338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).