N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine

C16H22N4 — CID 43543283

IUPACN-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC2CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C16H22N4/c1-2-20-13-16(10-17-20)18-15-8-9-19(12-15)11-14-6-4-3-5-7-14/h3-7,10,13,15,18H,2,8-9,11-12H2,1H3
InChIKeyXYVJPPYLDLXLHF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.59
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine

N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine (PubChem CID 43543283) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
PubChem CID43543283
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC2CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C16H22N4/c1-2-20-13-16(10-17-20)18-15-8-9-19(12-15)11-14-6-4-3-5-7-14/h3-7,10,13,15,18H,2,8-9,11-12H2,1H3
InChIKeyXYVJPPYLDLXLHF-UHFFFAOYSA-N
XLogP2.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine
CID 62904412
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
1-benzyl-N-cycloheptylpyrazol-4-amine
CID 60931271
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(3-ethylcyclopentyl)pyrazol-4-amine
CID 64501748
4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 82539345
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79462283

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine (CID 43543283) is N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine is CCn1cc(NC2CCN(Cc3ccccc3)C2)cn1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine?
The InChIKey is XYVJPPYLDLXLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-20-13-16(10-17-20)18-15-8-9-19(12-15)11-14-6-4-3-5-7-14/h3-7,10,13,15,18H,2,8-9,11-12H2,1H3.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine?
N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 43543283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).