N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine

C9H10BrF2N5 — CID 136572116

IUPACN-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2[nH]ncc2Br)n1
InChIInChI=1S/C9H10BrF2N5/c10-6-3-14-15-7(6)4-13-9-1-2-17(16-9)5-8(11)12/h1-3,8H,4-5H2,(H,13,16)(H,14,15)
InChIKeyOUSLXRYMFWVZPA-UHFFFAOYSA-N
MW306.11 g/mol
LogP2.25
Rot. Bonds5

About N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine

N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine (PubChem CID 136572116) has the molecular formula C9H10BrF2N5 and a molecular weight of 306.11 g/mol. Its IUPAC name is N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
PubChem CID136572116
Molecular FormulaC9H10BrF2N5
Molecular Weight306.11 g/mol
Exact Mass305.01
IUPAC NameN-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2[nH]ncc2Br)n1
InChIInChI=1S/C9H10BrF2N5/c10-6-3-14-15-7(6)4-13-9-1-2-17(16-9)5-8(11)12/h1-3,8H,4-5H2,(H,13,16)(H,14,15)
InChIKeyOUSLXRYMFWVZPA-UHFFFAOYSA-N
XLogP2.25
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 60808842
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-amine
CID 132312649
[1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanamine
CID 89147296
1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
CID 19626465
2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
CID 19626467
1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
CID 19626473
N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 61393519
1-[2-[3-(Trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-3-amine
CID 63315849
1-(2,2-difluoroethyl)-N-(1H-pyrazol-5-ylmethyl)pyrazol-3-amine
CID 115735751
1-(difluoromethyl)-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-3-amine
CID 122166507
1-(difluoromethyl)-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrazol-3-amine
CID 122166547
1-(difluoromethyl)-N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-1H-pyrazol-3-amine
CID 122166591

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine?
The IUPAC name of N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine (CID 136572116) is N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine.
What is the SMILES notation for N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine?
The canonical SMILES for N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine is FC(F)Cn1ccc(NCc2[nH]ncc2Br)n1.
What is the InChIKey of N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine?
The InChIKey is OUSLXRYMFWVZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N5/c10-6-3-14-15-7(6)4-13-9-1-2-17(16-9)5-8(11)12/h1-3,8H,4-5H2,(H,13,16)(H,14,15).
What are the key properties of N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine?
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine has a molecular weight of 306.11 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 136572116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).