N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide

C13H16ClF2N3O2 — CID 134068694

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide
SMILESCC1NNCC1C(=O)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C13H16ClF2N3O2/c1-7-10(6-18-19-7)12(20)17-5-8-4-9(14)2-3-11(8)21-13(15)16/h2-4,7,10,13,18-19H,5-6H2,1H3,(H,17,20)
InChIKeyZFUKBYICRVKKKS-UHFFFAOYSA-N
MW319.74 g/mol
LogP1.67
Rot. Bonds5

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide (PubChem CID 134068694) has the molecular formula C13H16ClF2N3O2 and a molecular weight of 319.74 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide
PubChem CID134068694
Molecular FormulaC13H16ClF2N3O2
Molecular Weight319.74 g/mol
Exact Mass319.09
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide
SMILESCC1NNCC1C(=O)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C13H16ClF2N3O2/c1-7-10(6-18-19-7)12(20)17-5-8-4-9(14)2-3-11(8)21-13(15)16/h2-4,7,10,13,18-19H,5-6H2,1H3,(H,17,20)
InChIKeyZFUKBYICRVKKKS-UHFFFAOYSA-N
XLogP1.67
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813987
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71985278
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119340940
9-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991503
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
trans-(1S,2S)-2-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131515
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 43425032
2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120991501
4-[[5-chloro-2-(difluoromethoxy)phenyl]methylcarbamoylamino]butanoic acid
CID 122004669
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
CID 115672955
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
CID 61464183

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide (CID 134068694) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide is CC1NNCC1C(=O)NCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide?
The InChIKey is ZFUKBYICRVKKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N3O2/c1-7-10(6-18-19-7)12(20)17-5-8-4-9(14)2-3-11(8)21-13(15)16/h2-4,7,10,13,18-19H,5-6H2,1H3,(H,17,20).
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide has a molecular weight of 319.74 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide is sourced from PubChem (CID 134068694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).