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

C16H18FN5O2 — CID 118485059

IUPAC5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)nc1)c1n[nH]c(C2CC2)c1F
InChIInChI=1S/C16H18FN5O2/c17-13-14(9-1-2-9)21-22-15(13)16(23)20-10-3-4-11(19-7-10)12-8-18-5-6-24-12/h3-4,7,9,12,18H,1-2,5-6,8H2,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyGJZLLCDZWZBEIQ-LBPRGKRZSA-N
MW331.35 g/mol
LogP1.73
Rot. Bonds4

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

5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (PubChem CID 118485059) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
PubChem CID118485059
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)nc1)c1n[nH]c(C2CC2)c1F
InChIInChI=1S/C16H18FN5O2/c17-13-14(9-1-2-9)21-22-15(13)16(23)20-10-3-4-11(19-7-10)12-8-18-5-6-24-12/h3-4,7,9,12,18H,1-2,5-6,8H2,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyGJZLLCDZWZBEIQ-LBPRGKRZSA-N
XLogP1.73
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (CID 118485059) is 5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccc([C@@H]2CNCCO2)nc1)c1n[nH]c(C2CC2)c1F.
What is the InChIKey of 5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The InChIKey is GJZLLCDZWZBEIQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN5O2/c17-13-14(9-1-2-9)21-22-15(13)16(23)20-10-3-4-11(19-7-10)12-8-18-5-6-24-12/h3-4,7,9,12,18H,1-2,5-6,8H2,(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of 5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118485059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).