(3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine

C5H8BrN3 — CID 139035724

IUPAC(3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine
SMILESCc1c(Br)n[nH]c1CN
InChIInChI=1S/C5H8BrN3/c1-3-4(2-7)8-9-5(3)6/h2,7H2,1H3,(H,8,9)
InChIKeySWGPXMRFGIPHJN-UHFFFAOYSA-N
MW190.04 g/mol
LogP0.94
Rot. Bonds1

About (3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine

(3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine (PubChem CID 139035724) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is (3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine
PubChem CID139035724
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name(3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine
SMILESCc1c(Br)n[nH]c1CN
InChIInChI=1S/C5H8BrN3/c1-3-4(2-7)8-9-5(3)6/h2,7H2,1H3,(H,8,9)
InChIKeySWGPXMRFGIPHJN-UHFFFAOYSA-N
XLogP0.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dibromo-5-methyl-1H-pyrazole
CID 4575242
5-bromo-3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 125448910
3-bromo-4-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 130228495
3-bromo-N,4-dimethyl-5-(trifluoromethyl)pyrazol-1-amine
CID 146392961
3-bromo-4-(difluoromethyl)-5-methyl-1H-pyrazole
CID 173589079
3-bromo-4,5-dimethyl-1H-pyrazole
CID 14849322
1-(3-bromo-1H-pyrazol-5-yl)methanamine
CID 83851863
5-bromo-3-methyl-1H-pyrazole-4-carbonitrile
CID 84660373
3-bromo-4-ethyl-5-methyl-1H-pyrazole
CID 173588927
2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine
CID 83819676
2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine
CID 83821846
[(5-bromo-4-methyl-1H-pyrazol-3-yl)methyl](methyl)amine
CID 83881739

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine?
The IUPAC name of (3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine (CID 139035724) is (3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for (3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for (3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine is Cc1c(Br)n[nH]c1CN.
What is the InChIKey of (3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine?
The InChIKey is SWGPXMRFGIPHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c1-3-4(2-7)8-9-5(3)6/h2,7H2,1H3,(H,8,9).
What are the key properties of (3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine?
(3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine has a molecular weight of 190.04 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methyl-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 139035724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).