RMTFKVQQWWDVDP-NSHDSACASA-N

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

C₁₈H₂₀F₃N₅O₂ — CID 137049241

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

IUPAC2-[5-methyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

SMILESCc1c(C(=O)N2CCC[C@H](C(F)(F)F)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2

InChIInChI=1S/C18H20F3N5O2/c1-10-13(16(28)25-7-3-4-11(9-25)18(19,20)21)8-22-26(10)17-23-14-6-2-5-12(14)15(27)24-17/h8,11H,2-7,9H2,1H3,(H,23,24,27)/t11-/m0/s1

InChIKeyRMTFKVQQWWDVDP-NSHDSACASA-N

MW395.39 g/mol

LogP2.17

Rot. Bonds2

About RMTFKVQQWWDVDP-NSHDSACASA-N

RMTFKVQQWWDVDP-NSHDSACASA-N (PubChem CID 137049241) has the molecular formula C₁₈H₂₀F₃N₅O₂ and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-[5-methyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name	RMTFKVQQWWDVDP-NSHDSACASA-N
PubChem CID	137049241
Molecular Formula	C₁₈H₂₀F₃N₅O₂
Molecular Weight	395.39 g/mol
Exact Mass	395.16
IUPAC Name	2-[5-methyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILES	Cc1c(C(=O)N2CCC[C@H](C(F)(F)F)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChI	InChI=1S/C18H20F3N5O2/c1-10-13(16(28)25-7-3-4-11(9-25)18(19,20)21)8-22-26(10)17-23-14-6-2-5-12(14)15(27)24-17/h8,11H,2-7,9H2,1H3,(H,23,24,27)/t11-/m0/s1
InChIKey	RMTFKVQQWWDVDP-NSHDSACASA-N
XLogP	2.17
TPSA	83.88 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.39
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of RMTFKVQQWWDVDP-NSHDSACASA-N?

The IUPAC name of RMTFKVQQWWDVDP-NSHDSACASA-N (CID 137049241) is 2-[5-methyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

What is the SMILES notation for RMTFKVQQWWDVDP-NSHDSACASA-N?

The canonical SMILES for RMTFKVQQWWDVDP-NSHDSACASA-N is Cc1c(C(=O)N2CCC[C@H](C(F)(F)F)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.

What is the InChIKey of RMTFKVQQWWDVDP-NSHDSACASA-N?

The InChIKey is RMTFKVQQWWDVDP-NSHDSACASA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-10-13(16(28)25-7-3-4-11(9-25)18(19,20)21)8-22-26(10)17-23-14-6-2-5-12(14)15(27)24-17/h8,11H,2-7,9H2,1H3,(H,23,24,27)/t11-/m0/s1.

What are the key properties of RMTFKVQQWWDVDP-NSHDSACASA-N?

RMTFKVQQWWDVDP-NSHDSACASA-N has a molecular weight of 395.39 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for RMTFKVQQWWDVDP-NSHDSACASA-N is sourced from PubChem (CID 137049241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 137049241 — identifiers, structure, computed properties (public domain)

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