N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline

C14H17N3 — CID 123697560

IUPACN,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline
SMILESC=C(C)c1ccc(-c2cn[nH]c2)cc1N(C)C
InChIInChI=1S/C14H17N3/c1-10(2)13-6-5-11(7-14(13)17(3)4)12-8-15-16-9-12/h5-9H,1H2,2-4H3,(H,15,16)
InChIKeySMXBDONXAWDURR-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.18
Rot. Bonds3

About N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline

N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline (PubChem CID 123697560) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline
PubChem CID123697560
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline
SMILESC=C(C)c1ccc(-c2cn[nH]c2)cc1N(C)C
InChIInChI=1S/C14H17N3/c1-10(2)13-6-5-11(7-14(13)17(3)4)12-8-15-16-9-12/h5-9H,1H2,2-4H3,(H,15,16)
InChIKeySMXBDONXAWDURR-UHFFFAOYSA-N
XLogP3.18
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
CID 168867710
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
methyl 2-chloro-5-(1H-pyrazol-4-yl)benzoate
CID 129283677
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
4-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 118018809
[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate
CID 68561768
N,N-dimethyl-3-prop-1-en-2-ylpyridin-4-amine
CID 159830107
1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine
CID 166954887
2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide
CID 134387946
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
6-(1H-pyrazol-4-yl)-1,3-benzoxazole
CID 67417079
4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole
CID 143756671

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline?
The IUPAC name of N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline (CID 123697560) is N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline.
What is the SMILES notation for N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline?
The canonical SMILES for N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline is C=C(C)c1ccc(-c2cn[nH]c2)cc1N(C)C.
What is the InChIKey of N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline?
The InChIKey is SMXBDONXAWDURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10(2)13-6-5-11(7-14(13)17(3)4)12-8-15-16-9-12/h5-9H,1H2,2-4H3,(H,15,16).
What are the key properties of N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline?
N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline has a molecular weight of 227.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline is sourced from PubChem (CID 123697560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).