5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide

C14H17FN4O2 — CID 97306008

IUPAC5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cnn(C)c1N)Oc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O2/c1-9(21-11-5-3-10(15)4-6-11)7-17-14(20)12-8-18-19(2)13(12)16/h3-6,8-9H,7,16H2,1-2H3,(H,17,20)/t9-/m0/s1
InChIKeyOLTWZHXUNAWYKZ-VIFPVBQESA-N
MW292.31 g/mol
LogP1.34
Rot. Bonds5

About 5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide

5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide (PubChem CID 97306008) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide
PubChem CID97306008
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cnn(C)c1N)Oc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O2/c1-9(21-11-5-3-10(15)4-6-11)7-17-14(20)12-8-18-19(2)13(12)16/h3-6,8-9H,7,16H2,1-2H3,(H,17,20)/t9-/m0/s1
InChIKeyOLTWZHXUNAWYKZ-VIFPVBQESA-N
XLogP1.34
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694
5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330375
5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide
CID 104600874
N-[2-(4-fluorophenoxy)propyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 86790913
5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
CID 82546188
5-amino-1-methyl-N-[3-(2-methylpropoxy)propyl]pyrazole-4-carboxamide
CID 113355603
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide
CID 102673557
2-(4-fluorophenoxy)-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120533493

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide (CID 97306008) is 5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide is C[C@@H](CNC(=O)c1cnn(C)c1N)Oc1ccc(F)cc1.
What is the InChIKey of 5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is OLTWZHXUNAWYKZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-9(21-11-5-3-10(15)4-6-11)7-17-14(20)12-8-18-19(2)13(12)16/h3-6,8-9H,7,16H2,1-2H3,(H,17,20)/t9-/m0/s1.
What are the key properties of 5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 97306008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).