3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide

C19H22FN5O2 — CID 46948244

IUPAC3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCCCn2ccnc2)[nH]n1
InChIInChI=1S/C19H22FN5O2/c1-13(2)27-18-10-14(20)4-5-15(18)16-11-17(24-23-16)19(26)22-6-3-8-25-9-7-21-12-25/h4-5,7,9-13H,3,6,8H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyLFVMSSNWSHDTNB-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.02
Rot. Bonds8

About 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide

3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 46948244) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID46948244
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCCCn2ccnc2)[nH]n1
InChIInChI=1S/C19H22FN5O2/c1-13(2)27-18-10-14(20)4-5-15(18)16-11-17(24-23-16)19(26)22-6-3-8-25-9-7-21-12-25/h4-5,7,9-13H,3,6,8H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyLFVMSSNWSHDTNB-UHFFFAOYSA-N
XLogP3.02
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288530
5-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165414976
4-N-(2-fluoroethyl)-5-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414990
4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414943
5-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165415061
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2998727
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46964069
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 49792638
N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-5-carboxamide
CID 91668781
US11014929, Example 38
CID 134326801
US11014929, Example 32
CID 134326961
US11014929, Example 22
CID 134327038

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide (CID 46948244) is 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide is CC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCCCn2ccnc2)[nH]n1.
What is the InChIKey of 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LFVMSSNWSHDTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-13(2)27-18-10-14(20)4-5-15(18)16-11-17(24-23-16)19(26)22-6-3-8-25-9-7-21-12-25/h4-5,7,9-13H,3,6,8H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46948244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).