N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline

C17H24N4 — CID 106757227

IUPACN-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
SMILESCC(Nc1cccc(CN2CCCC2)c1)c1ccnn1C
InChIInChI=1S/C17H24N4/c1-14(17-8-9-18-20(17)2)19-16-7-5-6-15(12-16)13-21-10-3-4-11-21/h5-9,12,14,19H,3-4,10-11,13H2,1-2H3
InChIKeyFCMZUCFPYAILOM-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.19
Rot. Bonds5

About N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline

N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 106757227) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
PubChem CID106757227
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
SMILESCC(Nc1cccc(CN2CCCC2)c1)c1ccnn1C
InChIInChI=1S/C17H24N4/c1-14(17-8-9-18-20(17)2)19-16-7-5-6-15(12-16)13-21-10-3-4-11-21/h5-9,12,14,19H,3-4,10-11,13H2,1-2H3
InChIKeyFCMZUCFPYAILOM-UHFFFAOYSA-N
XLogP3.19
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 106757576
3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol
CID 106758050
1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine
CID 106757614
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 106756909
N-octan-2-yl-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691855
N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115918177
N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
CID 64590840
N-[1-(2-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 106756822
3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757328
4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756900
N-benzyl-3-(piperidin-1-ylmethyl)aniline
CID 59121183
N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline
CID 63952076

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline (CID 106757227) is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline is CC(Nc1cccc(CN2CCCC2)c1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is FCMZUCFPYAILOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14(17-8-9-18-20(17)2)19-16-7-5-6-15(12-16)13-21-10-3-4-11-21/h5-9,12,14,19H,3-4,10-11,13H2,1-2H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline?
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 284.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 106757227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).