1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol

Name: 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₈ClN₃O — CID 113470054

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

IUPAC1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol

SMILESCCC(O)c1ccn(Cc2c(C)nn(C)c2Cl)c1

InChIInChI=1S/C13H18ClN3O/c1-4-12(18)10-5-6-17(7-10)8-11-9(2)15-16(3)13(11)14/h5-7,12,18H,4,8H2,1-3H3

InChIKeyHECDHUWEJZXRSV-UHFFFAOYSA-N

MW267.76 g/mol

LogP2.68

Rot. Bonds4

About 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol

1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 113470054) has the molecular formula C₁₃H₁₈ClN₃O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name	1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID	113470054
Molecular Formula	C₁₃H₁₈ClN₃O
Molecular Weight	267.76 g/mol
Exact Mass	267.11
IUPAC Name	1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILES	CCC(O)c1ccn(Cc2c(C)nn(C)c2Cl)c1
InChI	InChI=1S/C13H18ClN3O/c1-4-12(18)10-5-6-17(7-10)8-11-9(2)15-16(3)13(11)14/h5-7,12,18H,4,8H2,1-3H3
InChIKey	HECDHUWEJZXRSV-UHFFFAOYSA-N
XLogP	2.68
TPSA	42.98 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.76
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?

The IUPAC name of 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol (CID 113470054) is 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol.

What is the SMILES notation for 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?

The canonical SMILES for 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol is CCC(O)c1ccn(Cc2c(C)nn(C)c2Cl)c1.

What is the InChIKey of 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?

The InChIKey is HECDHUWEJZXRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-4-12(18)10-5-6-17(7-10)8-11-9(2)15-16(3)13(11)14/h5-7,12,18H,4,8H2,1-3H3.

What are the key properties of 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?

1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 267.76 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 113470054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 113470054 — identifiers, structure, computed properties (public domain)

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