2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile

Name: 2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₆ClN₅ — CID 155561148

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile

SMILESC[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)Nc1cccnc1

InChIInChI=1S/C18H16ClN5/c1-13(22-16-3-2-7-21-11-16)12-24-8-6-18(23-24)14-4-5-15(10-20)17(19)9-14/h2-9,11,13,22H,12H2,1H3/t13-/m0/s1

InChIKeyULOAJAHGVNRWFZ-ZDUSSCGKSA-N

MW337.81 g/mol

LogP3.97

Rot. Bonds5

About 2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile

2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile (PubChem CID 155561148) has the molecular formula C₁₈H₁₆ClN₅ and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile.

Molecular Properties

Compound Name	2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile
PubChem CID	155561148
Molecular Formula	C₁₈H₁₆ClN₅
Molecular Weight	337.81 g/mol
Exact Mass	337.11
IUPAC Name	2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile
SMILES	C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)Nc1cccnc1
InChI	InChI=1S/C18H16ClN5/c1-13(22-16-3-2-7-21-11-16)12-24-8-6-18(23-24)14-4-5-15(10-20)17(19)9-14/h2-9,11,13,22H,12H2,1H3/t13-/m0/s1
InChIKey	ULOAJAHGVNRWFZ-ZDUSSCGKSA-N
XLogP	3.97
TPSA	66.53 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.81
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile?

The IUPAC name of 2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile (CID 155561148) is 2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile.

What is the SMILES notation for 2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile?

The canonical SMILES for 2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile is C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)Nc1cccnc1.

What is the InChIKey of 2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile?

The InChIKey is ULOAJAHGVNRWFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-13(22-16-3-2-7-21-11-16)12-24-8-6-18(23-24)14-4-5-15(10-20)17(19)9-14/h2-9,11,13,22H,12H2,1H3/t13-/m0/s1.

What are the key properties of 2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile?

2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile has a molecular weight of 337.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile is sourced from PubChem (CID 155561148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155561148 — identifiers, structure, computed properties (public domain)

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