4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine

C17H25N5 — CID 125022357

IUPAC4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine
SMILESCCn1cc(CN2CCC[C@H]2c2ccnc(NC)c2)c(C)n1
InChIInChI=1S/C17H25N5/c1-4-22-12-15(13(2)20-22)11-21-9-5-6-16(21)14-7-8-19-17(10-14)18-3/h7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,18,19)/t16-/m0/s1
InChIKeyYQCFSBWOVXKHEV-INIZCTEOSA-N
MW299.42 g/mol
LogP2.99
Rot. Bonds5

About 4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine

4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine (PubChem CID 125022357) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine
PubChem CID125022357
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine
SMILESCCn1cc(CN2CCC[C@H]2c2ccnc(NC)c2)c(C)n1
InChIInChI=1S/C17H25N5/c1-4-22-12-15(13(2)20-22)11-21-9-5-6-16(21)14-7-8-19-17(10-14)18-3/h7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,18,19)/t16-/m0/s1
InChIKeyYQCFSBWOVXKHEV-INIZCTEOSA-N
XLogP2.99
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
CID 125011932
N-methyl-4-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridin-2-amine
CID 124964991
N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124952288
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844042
2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124989627
N-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111526
N-methyl-4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyridin-2-amine
CID 110105580
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109496
(4-chloro-1-propylpyrazol-3-yl)-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125012953
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-thiophen-2-yl-1,2-oxazole
CID 46954263
2-methyl-4-[(2R)-1-propylpyrrolidin-2-yl]pyridine
CID 124500080
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine (CID 125022357) is 4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine is CCn1cc(CN2CCC[C@H]2c2ccnc(NC)c2)c(C)n1.
What is the InChIKey of 4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine?
The InChIKey is YQCFSBWOVXKHEV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N5/c1-4-22-12-15(13(2)20-22)11-21-9-5-6-16(21)14-7-8-19-17(10-14)18-3/h7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,18,19)/t16-/m0/s1.
What are the key properties of 4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine?
4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine has a molecular weight of 299.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 125022357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).