5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline

C14H16ClN3 — CID 54863788

IUPAC5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline
SMILESCC(Nc1cc(Cl)ccc1-n1cccn1)C1CC1
InChIInChI=1S/C14H16ClN3/c1-10(11-3-4-11)17-13-9-12(15)5-6-14(13)18-8-2-7-16-18/h2,5-11,17H,3-4H2,1H3
InChIKeyWPWDQTCFONZNCN-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.74
Rot. Bonds4

About 5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline

5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline (PubChem CID 54863788) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline
PubChem CID54863788
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline
SMILESCC(Nc1cc(Cl)ccc1-n1cccn1)C1CC1
InChIInChI=1S/C14H16ClN3/c1-10(11-3-4-11)17-13-9-12(15)5-6-14(13)18-8-2-7-16-18/h2,5-11,17H,3-4H2,1H3
InChIKeyWPWDQTCFONZNCN-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline?
The IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline (CID 54863788) is 5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline?
The canonical SMILES for 5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline is CC(Nc1cc(Cl)ccc1-n1cccn1)C1CC1.
What is the InChIKey of 5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline?
The InChIKey is WPWDQTCFONZNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10(11-3-4-11)17-13-9-12(15)5-6-14(13)18-8-2-7-16-18/h2,5-11,17H,3-4H2,1H3.
What are the key properties of 5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline?
5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline has a molecular weight of 261.76 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline is sourced from PubChem (CID 54863788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).