4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine

C11H10ClF2N3 — CID 113328791

IUPAC4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine
SMILESNc1c(Cl)cnn1Cc1cccc(C(F)F)c1
InChIInChI=1S/C11H10ClF2N3/c12-9-5-16-17(11(9)15)6-7-2-1-3-8(4-7)10(13)14/h1-5,10H,6,15H2
InChIKeyWBIDWNDELLPYRU-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.10
Rot. Bonds3

About 4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine

4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine (PubChem CID 113328791) has the molecular formula C11H10ClF2N3 and a molecular weight of 257.67 g/mol. Its IUPAC name is 4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine
PubChem CID113328791
Molecular FormulaC11H10ClF2N3
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine
SMILESNc1c(Cl)cnn1Cc1cccc(C(F)F)c1
InChIInChI=1S/C11H10ClF2N3/c12-9-5-16-17(11(9)15)6-7-2-1-3-8(4-7)10(13)14/h1-5,10H,6,15H2
InChIKeyWBIDWNDELLPYRU-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(difluoromethyl)phenyl]methyl]-4-nitropyrazol-5-amine
CID 115526732
1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine
CID 83230518
1-(chloromethyl)-3-(difluoromethyl)benzene
CID 83854596
4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine
CID 104822090
1-benzyl-4-propan-2-ylpyrazol-5-amine
CID 126480379
1-[[4-(difluoromethyl)phenyl]methyl]-4-nitropyrazol-5-amine
CID 115524195
3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol
CID 115069565
1-[(3-bromophenyl)methyl]-4-(chloromethyl)-5-(difluoromethyl)pyrazole
CID 66437526
4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine
CID 116501544
[1-[(3-bromophenyl)methyl]-5-(difluoromethyl)pyrazol-4-yl]methanamine
CID 66441405
1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 115526020
5-amino-1-[(3-bromophenyl)methyl]pyrazole-4-carbonitrile
CID 63276647

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine?
The IUPAC name of 4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine (CID 113328791) is 4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine?
The canonical SMILES for 4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine is Nc1c(Cl)cnn1Cc1cccc(C(F)F)c1.
What is the InChIKey of 4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine?
The InChIKey is WBIDWNDELLPYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3/c12-9-5-16-17(11(9)15)6-7-2-1-3-8(4-7)10(13)14/h1-5,10H,6,15H2.
What are the key properties of 4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine?
4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine has a molecular weight of 257.67 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine is sourced from PubChem (CID 113328791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).