HMMHVMQRLUKBHG-UHFFFAOYSA-N

Name: HMMHVMQRLUKBHG-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₈F₃N₃O₂ — CID 139533887

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

IUPACethyl 1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxylate

SMILESCCOC(=O)c1cnn(CCN2CCCC2)c1C(F)(F)F

InChIInChI=1S/C13H18F3N3O2/c1-2-21-12(20)10-9-17-19(11(10)13(14,15)16)8-7-18-5-3-4-6-18/h9H,2-8H2,1H3

InChIKeyHMMHVMQRLUKBHG-UHFFFAOYSA-N

MW305.30 g/mol

LogP2.17

Rot. Bonds5

About HMMHVMQRLUKBHG-UHFFFAOYSA-N

HMMHVMQRLUKBHG-UHFFFAOYSA-N (PubChem CID 139533887) has the molecular formula C₁₃H₁₈F₃N₃O₂ and a molecular weight of 305.30 g/mol. Its IUPAC name is ethyl 1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name	HMMHVMQRLUKBHG-UHFFFAOYSA-N
PubChem CID	139533887
Molecular Formula	C₁₃H₁₈F₃N₃O₂
Molecular Weight	305.30 g/mol
Exact Mass	305.14
IUPAC Name	ethyl 1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
SMILES	CCOC(=O)c1cnn(CCN2CCCC2)c1C(F)(F)F
InChI	InChI=1S/C13H18F3N3O2/c1-2-21-12(20)10-9-17-19(11(10)13(14,15)16)8-7-18-5-3-4-6-18/h9H,2-8H2,1H3
InChIKey	HMMHVMQRLUKBHG-UHFFFAOYSA-N
XLogP	2.17
TPSA	47.36 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.30
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of HMMHVMQRLUKBHG-UHFFFAOYSA-N?

The IUPAC name of HMMHVMQRLUKBHG-UHFFFAOYSA-N (CID 139533887) is ethyl 1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxylate.

What is the SMILES notation for HMMHVMQRLUKBHG-UHFFFAOYSA-N?

The canonical SMILES for HMMHVMQRLUKBHG-UHFFFAOYSA-N is CCOC(=O)c1cnn(CCN2CCCC2)c1C(F)(F)F.

What is the InChIKey of HMMHVMQRLUKBHG-UHFFFAOYSA-N?

The InChIKey is HMMHVMQRLUKBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-2-21-12(20)10-9-17-19(11(10)13(14,15)16)8-7-18-5-3-4-6-18/h9H,2-8H2,1H3.

What are the key properties of HMMHVMQRLUKBHG-UHFFFAOYSA-N?

HMMHVMQRLUKBHG-UHFFFAOYSA-N has a molecular weight of 305.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for HMMHVMQRLUKBHG-UHFFFAOYSA-N is sourced from PubChem (CID 139533887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 139533887 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.