N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide

C14H15N3OS — CID 56785247

IUPACN-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(Sc2ccccc2)CC1)c1ccn[nH]1
InChIInChI=1S/C14H15N3OS/c18-13(12-6-9-16-17-12)15-10-14(7-8-14)19-11-4-2-1-3-5-11/h1-6,9H,7-8,10H2,(H,15,18)(H,16,17)
InChIKeyFUOAAWYCKVKLLX-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.46
Rot. Bonds5

About N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide

N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 56785247) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID56785247
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(Sc2ccccc2)CC1)c1ccn[nH]1
InChIInChI=1S/C14H15N3OS/c18-13(12-6-9-16-17-12)15-10-14(7-8-14)19-11-4-2-1-3-5-11/h1-6,9H,7-8,10H2,(H,15,18)(H,16,17)
InChIKeyFUOAAWYCKVKLLX-UHFFFAOYSA-N
XLogP2.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide (CID 56785247) is N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCC1(Sc2ccccc2)CC1)c1ccn[nH]1.
What is the InChIKey of N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FUOAAWYCKVKLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-13(12-6-9-16-17-12)15-10-14(7-8-14)19-11-4-2-1-3-5-11/h1-6,9H,7-8,10H2,(H,15,18)(H,16,17).
What are the key properties of N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide?
N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56785247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).