(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine

C17H25N5 — CID 97470960

IUPAC(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2ccccn2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C17H25N5/c1-20(2)16-7-9-22(13-15-6-4-5-8-18-15)17(16)10-14-11-19-21(3)12-14/h4-6,8,11-12,16-17H,7,9-10,13H2,1-3H3/t16-,17+/m1/s1
InChIKeyHBJUFYZTMANWHO-SJORKVTESA-N
MW299.42 g/mol
LogP1.56
Rot. Bonds5

About (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine

(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 97470960) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID97470960
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2ccccn2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C17H25N5/c1-20(2)16-7-9-22(13-15-6-4-5-8-18-15)17(16)10-14-11-19-21(3)12-14/h4-6,8,11-12,16-17H,7,9-10,13H2,1-3H3/t16-,17+/m1/s1
InChIKeyHBJUFYZTMANWHO-SJORKVTESA-N
XLogP1.56
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97384331
3-[[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 97470959
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 97470239
(2S,3R)-N,N-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 97369130
1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 124820733
(2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 124814278
(2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 97471009
[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131683439
[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
3-[[(2R,3R)-3-methoxy-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridine
CID 124817739
(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 97384267
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine (CID 97470960) is (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine is CN(C)[C@@H]1CCN(Cc2ccccn2)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is HBJUFYZTMANWHO-SJORKVTESA-N. The full InChI is InChI=1S/C17H25N5/c1-20(2)16-7-9-22(13-15-6-4-5-8-18-15)17(16)10-14-11-19-21(3)12-14/h4-6,8,11-12,16-17H,7,9-10,13H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 299.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 97470960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).