N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

C16H20N4O2 — CID 118903664

IUPACN-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc(OC3CNC3)cc2)c1C
InChIInChI=1S/C16H20N4O2/c1-3-14-10(2)15(20-19-14)16(21)18-11-4-6-12(7-5-11)22-13-8-17-9-13/h4-7,13,17H,3,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMWPITEPOGZBANO-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.88
Rot. Bonds5

About N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 118903664) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID118903664
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc(OC3CNC3)cc2)c1C
InChIInChI=1S/C16H20N4O2/c1-3-14-10(2)15(20-19-14)16(21)18-11-4-6-12(7-5-11)22-13-8-17-9-13/h4-7,13,17H,3,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMWPITEPOGZBANO-UHFFFAOYSA-N
XLogP1.88
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid
CID 175814665
N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 118903633
2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
CID 170722933
(2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
CID 130429737
N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 118903760
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082853
4-amino-5-ethyl-N-(4-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62082857
5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide
CID 74236598
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
N-[4-(azetidin-3-yloxy)phenyl]-4-(1-chloro-2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 118903240
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 115375786

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (CID 118903664) is N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2ccc(OC3CNC3)cc2)c1C.
What is the InChIKey of N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is MWPITEPOGZBANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-14-10(2)15(20-19-14)16(21)18-11-4-6-12(7-5-11)22-13-8-17-9-13/h4-7,13,17H,3,8-9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118903664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).