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

C16H18N4O2 — CID 118903514

IUPACN-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC2CNC2)cc1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H18N4O2/c21-16(15-7-14(19-20-15)10-1-2-10)18-11-3-5-12(6-4-11)22-13-8-17-9-13/h3-7,10,13,17H,1-2,8-9H2,(H,18,21)(H,19,20)
InChIKeyGOQGSNQVBHHYFO-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.89
Rot. Bonds5

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

N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 118903514) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID118903514
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC2CNC2)cc1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H18N4O2/c21-16(15-7-14(19-20-15)10-1-2-10)18-11-3-5-12(6-4-11)22-13-8-17-9-13/h3-7,10,13,17H,1-2,8-9H2,(H,18,21)(H,19,20)
InChIKeyGOQGSNQVBHHYFO-UHFFFAOYSA-N
XLogP1.89
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pentyl-1H-pyrazole-3-carboxamide
CID 118557254
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 118473396
US10023559, Example 17
CID 118903343
US10023559, Example 36
CID 118903502
US10023559, Example 40
CID 118903524
US10023559, Example 25
CID 118903557
US10023559, Example 42
CID 118903592
US10023559, Example 24
CID 118903760
N-(4-Methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxamide
CID 5093672
3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9120566
(3-cyclohexyl-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
CID 54579948
US10023559, Example 48
CID 118903516

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 118903514) is N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(OC2CNC2)cc1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is GOQGSNQVBHHYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(15-7-14(19-20-15)10-1-2-10)18-11-3-5-12(6-4-11)22-13-8-17-9-13/h3-7,10,13,17H,1-2,8-9H2,(H,18,21)(H,19,20).
What are the key properties of N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.89, 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-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118903514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).