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

C16H17FN4O2 — CID 118903592

IUPACN-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC2CNC2)cc1)c1n[nH]c(C2CC2)c1F
InChIInChI=1S/C16H17FN4O2/c17-13-14(9-1-2-9)20-21-15(13)16(22)19-10-3-5-11(6-4-10)23-12-7-18-8-12/h3-6,9,12,18H,1-2,7-8H2,(H,19,22)(H,20,21)
InChIKeyMAWREKGHWRDTJI-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.03
Rot. Bonds5

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

N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide (PubChem CID 118903592) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide
PubChem CID118903592
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC2CNC2)cc1)c1n[nH]c(C2CC2)c1F
InChIInChI=1S/C16H17FN4O2/c17-13-14(9-1-2-9)20-21-15(13)16(22)19-10-3-5-11(6-4-10)23-12-7-18-8-12/h3-6,9,12,18H,1-2,7-8H2,(H,19,22)(H,20,21)
InChIKeyMAWREKGHWRDTJI-UHFFFAOYSA-N
XLogP2.03
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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 24
CID 118903760
5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 155753640
US10023559, Example 10
CID 118903514
US10023559, Example 48
CID 118903516
US10023559, Example 41
CID 118903525
US10023559, Example 33
CID 118903527
US10023559, Example 12
CID 118903530

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide (CID 118903592) is N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(OC2CNC2)cc1)c1n[nH]c(C2CC2)c1F.
What is the InChIKey of N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide?
The InChIKey is MAWREKGHWRDTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-13-14(9-1-2-9)20-21-15(13)16(22)19-10-3-5-11(6-4-10)23-12-7-18-8-12/h3-6,9,12,18H,1-2,7-8H2,(H,19,22)(H,20,21).
What are the key properties of N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide?
N-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-4-fluoro-1H-pyrazole-3-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.03, 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-4-fluoro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118903592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).