N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline

C13H17N3 — CID 43745359

IUPACN-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
SMILESCC(C)CNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H17N3/c1-10(2)9-14-12-5-3-4-11(8-12)13-6-7-15-16-13/h3-8,10,14H,9H2,1-2H3,(H,15,16)
InChIKeyWMFXJRFEZDWFHI-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.14
Rot. Bonds4

About N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline

N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline (PubChem CID 43745359) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
PubChem CID43745359
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
SMILESCC(C)CNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H17N3/c1-10(2)9-14-12-5-3-4-11(8-12)13-6-7-15-16-13/h3-8,10,14H,9H2,1-2H3,(H,15,16)
InChIKeyWMFXJRFEZDWFHI-UHFFFAOYSA-N
XLogP3.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107445250
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide
CID 55231822
N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 43711252
N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745382

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline (CID 43745359) is N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline is CC(C)CNc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is WMFXJRFEZDWFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(2)9-14-12-5-3-4-11(8-12)13-6-7-15-16-13/h3-8,10,14H,9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline?
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 215.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 43745359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).