2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline

C11H11Cl2N3 — CID 28774430

IUPAC2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C11H11Cl2N3/c1-16-7-8(6-15-16)5-14-10-4-2-3-9(12)11(10)13/h2-4,6-7,14H,5H2,1H3
InChIKeyFBMVESIBAWUWID-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.34
Rot. Bonds3

About 2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline

2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 28774430) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
PubChem CID28774430
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C11H11Cl2N3/c1-16-7-8(6-15-16)5-14-10-4-2-3-9(12)11(10)13/h2-4,6-7,14H,5H2,1H3
InChIKeyFBMVESIBAWUWID-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 61361195
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
2,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600263
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
N-(2,3-dichlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196117
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66400502
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline
CID 28600255
2-chloro-5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 113334227
2-chloro-6-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112554197
5-chloro-2,4-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600349

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline (CID 28774430) is 2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline is Cn1cc(CNc2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is FBMVESIBAWUWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-16-7-8(6-15-16)5-14-10-4-2-3-9(12)11(10)13/h2-4,6-7,14H,5H2,1H3.
What are the key properties of 2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline?
2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 256.14 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 28774430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).