4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide

C16H20FN5O2 — CID 118484939

IUPAC4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)c1F
InChIInChI=1S/C16H20FN5O2/c1-2-3-12-14(17)15(22-21-12)16(23)20-10-4-5-11(19-8-10)13-9-18-6-7-24-13/h4-5,8,13,18H,2-3,6-7,9H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyCQTXBCIPVMUAKL-ZDUSSCGKSA-N
MW333.37 g/mol
LogP1.81
Rot. Bonds5

About 4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide

4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 118484939) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID118484939
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)c1F
InChIInChI=1S/C16H20FN5O2/c1-2-3-12-14(17)15(22-21-12)16(23)20-10-4-5-11(19-8-10)13-9-18-6-7-24-13/h4-5,8,13,18H,2-3,6-7,9H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyCQTXBCIPVMUAKL-ZDUSSCGKSA-N
XLogP1.81
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 118484939) is 4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)c1F.
What is the InChIKey of 4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is CQTXBCIPVMUAKL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-2-3-12-14(17)15(22-21-12)16(23)20-10-4-5-11(19-8-10)13-9-18-6-7-24-13/h4-5,8,13,18H,2-3,6-7,9H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1.
What are the key properties of 4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118484939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).