N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide

C15H18ClN3O — CID 78861160

IUPACN-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N(C)C(C)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H18ClN3O/c1-4-11-9-14(18-17-11)15(20)19(3)10(2)12-7-5-6-8-13(12)16/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeyMFOKYHGTMFOTOM-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.46
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide

N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 78861160) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID78861160
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N(C)C(C)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H18ClN3O/c1-4-11-9-14(18-17-11)15(20)19(3)10(2)12-7-5-6-8-13(12)16/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeyMFOKYHGTMFOTOM-UHFFFAOYSA-N
XLogP3.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 47024435
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55746193
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55740396
N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 87021283
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 24674354
N-[(2R)-butan-2-yl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95207016
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 56747947
4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60948899
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62729337
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide (CID 78861160) is N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)N(C)C(C)c2ccccc2Cl)n[nH]1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is MFOKYHGTMFOTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-11-9-14(18-17-11)15(20)19(3)10(2)12-7-5-6-8-13(12)16/h5-10H,4H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78861160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).