[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride

C11H12Cl2FN3 — CID 146194722

IUPAC[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cnn(Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C11H11ClFN3.ClH/c12-11-3-10(13)2-1-9(11)7-16-6-8(4-14)5-15-16;/h1-3,5-6H,4,7,14H2;1H
InChIKeyVRBTVFHRHLQNDS-UHFFFAOYSA-N
MW276.14 g/mol
LogP2.60
Rot. Bonds3

About [1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride

[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 146194722) has the molecular formula C11H12Cl2FN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is [1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
PubChem CID146194722
Molecular FormulaC11H12Cl2FN3
Molecular Weight276.14 g/mol
Exact Mass275.04
IUPAC Name[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cnn(Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C11H11ClFN3.ClH/c12-11-3-10(13)2-1-9(11)7-16-6-8(4-14)5-15-16;/h1-3,5-6H,4,7,14H2;1H
InChIKeyVRBTVFHRHLQNDS-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 146194960
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CID 102669740
1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride
CID 175103248
[3-chloro-4-[(4-iodopyrazol-1-yl)methyl]phenyl]methanamine
CID 102663301
1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine
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[1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine
CID 146194144
2-[(4-chloropyrazol-1-yl)methyl]-4-fluoroaniline
CID 61036280
[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol
CID 62730183
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19412651
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide
CID 102663306
[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methanamine
CID 82929588
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19336125

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride (CID 146194722) is [1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride is Cl.NCc1cnn(Cc2ccc(F)cc2Cl)c1.
What is the InChIKey of [1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is VRBTVFHRHLQNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3.ClH/c12-11-3-10(13)2-1-9(11)7-16-6-8(4-14)5-15-16;/h1-3,5-6H,4,7,14H2;1H.
What are the key properties of [1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride?
[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 276.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 146194722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).