N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

C16H19Cl2FN4O — CID 119780523

IUPACN-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1ccnn1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H18ClFN4O.ClH/c17-13-4-3-12(7-14(13)18)10-22-15(5-6-20-22)21-16(23)9-19-8-11-1-2-11;/h3-7,11,19H,1-2,8-10H2,(H,21,23);1H
InChIKeyYBQVMFYBSSPRLI-UHFFFAOYSA-N
MW373.26 g/mol
LogP3.08
Rot. Bonds7

About N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119780523) has the molecular formula C16H19Cl2FN4O and a molecular weight of 373.26 g/mol. Its IUPAC name is N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119780523
Molecular FormulaC16H19Cl2FN4O
Molecular Weight373.26 g/mol
Exact Mass372.09
IUPAC NameN-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1ccnn1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H18ClFN4O.ClH/c17-13-4-3-12(7-14(13)18)10-22-15(5-6-20-22)21-16(23)9-19-8-11-1-2-11;/h3-7,11,19H,1-2,8-10H2,(H,21,23);1H
InChIKeyYBQVMFYBSSPRLI-UHFFFAOYSA-N
XLogP3.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938989
trans-(1R,2R)-2-[[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 138003056
(2S,4S)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632019
(2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120792795
N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
CID 119321823
2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 16564265
N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 63423058
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18127011
N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide
CID 47007012
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 24509854
ethyl (3S)-3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 39991255

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119780523) is N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is Cl.O=C(CNCC1CC1)Nc1ccnn1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is YBQVMFYBSSPRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O.ClH/c17-13-4-3-12(7-14(13)18)10-22-15(5-6-20-22)21-16(23)9-19-8-11-1-2-11;/h3-7,11,19H,1-2,8-10H2,(H,21,23);1H.
What are the key properties of N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 373.26 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119780523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).