(3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine

C17H23ClN4 — CID 97350621

IUPAC(3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine
SMILESC[C@H]1C[C@@H](N(C)Cc2cnn(-c3cccc(Cl)c3)c2)CN1C
InChIInChI=1S/C17H23ClN4/c1-13-7-17(12-20(13)2)21(3)10-14-9-19-22(11-14)16-6-4-5-15(18)8-16/h4-6,8-9,11,13,17H,7,10,12H2,1-3H3/t13-,17+/m0/s1
InChIKeyLPMLJUZJXHZBSX-SUMWQHHRSA-N
MW318.85 g/mol
LogP3.05
Rot. Bonds4

About (3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine

(3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine (PubChem CID 97350621) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is (3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine
PubChem CID97350621
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name(3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine
SMILESC[C@H]1C[C@@H](N(C)Cc2cnn(-c3cccc(Cl)c3)c2)CN1C
InChIInChI=1S/C17H23ClN4/c1-13-7-17(12-20(13)2)21(3)10-14-9-19-22(11-14)16-6-4-5-15(18)8-16/h4-6,8-9,11,13,17H,7,10,12H2,1-3H3/t13-,17+/m0/s1
InChIKeyLPMLJUZJXHZBSX-SUMWQHHRSA-N
XLogP3.05
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine
CID 97350619
N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270362
1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
CID 71861486
(2S,4R)-1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 135117897
(2R)-1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]azetidine-2-carboxylic acid
CID 124851906
[1-(3-chlorophenyl)pyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 94582638
(1S,5R)-3-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70779972
3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
CID 62719108
1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212
(3S,5S,9R)-5-[[1-(3-chlorophenyl)pyrazol-4-yl]methylamino]-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 126462597
1-(3-chlorophenyl)-4-iodopyrazole
CID 171439876
4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine?
The IUPAC name of (3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine (CID 97350621) is (3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for (3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine is C[C@H]1C[C@@H](N(C)Cc2cnn(-c3cccc(Cl)c3)c2)CN1C.
What is the InChIKey of (3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine?
The InChIKey is LPMLJUZJXHZBSX-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H23ClN4/c1-13-7-17(12-20(13)2)21(3)10-14-9-19-22(11-14)16-6-4-5-15(18)8-16/h4-6,8-9,11,13,17H,7,10,12H2,1-3H3/t13-,17+/m0/s1.
What are the key properties of (3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine?
(3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine has a molecular weight of 318.85 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-N,1,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 97350621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).