N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide

C12H17F2N3O2 — CID 146086979

IUPACN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)CC1(O)CCCC1
InChIInChI=1S/C12H17F2N3O2/c1-7-9(10(11(13)14)17-16-7)15-8(18)6-12(19)4-2-3-5-12/h11,19H,2-6H2,1H3,(H,15,18)(H,16,17)
InChIKeyBFEHGHNXIHVMPM-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.29
Rot. Bonds4

About N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide

N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 146086979) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID146086979
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)CC1(O)CCCC1
InChIInChI=1S/C12H17F2N3O2/c1-7-9(10(11(13)14)17-16-7)15-8(18)6-12(19)4-2-3-5-12/h11,19H,2-6H2,1H3,(H,15,18)(H,16,17)
InChIKeyBFEHGHNXIHVMPM-UHFFFAOYSA-N
XLogP2.29
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide (CID 146086979) is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide is Cc1[nH]nc(C(F)F)c1NC(=O)CC1(O)CCCC1.
What is the InChIKey of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is BFEHGHNXIHVMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-7-9(10(11(13)14)17-16-7)15-8(18)6-12(19)4-2-3-5-12/h11,19H,2-6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide?
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 273.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 146086979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).