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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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).