5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide

C5H7BrN4O — CID 162380708

IUPAC5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide
SMILESCNc1n[nH]c(Br)c1C(N)=O
InChIInChI=1S/C5H7BrN4O/c1-8-5-2(4(7)11)3(6)9-10-5/h1H3,(H2,7,11)(H2,8,9,10)
InChIKeyHUUHJIVAAKLOGP-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.31
Rot. Bonds2

About 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide

5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide (PubChem CID 162380708) has the molecular formula C5H7BrN4O and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide
PubChem CID162380708
Molecular FormulaC5H7BrN4O
Molecular Weight219.04 g/mol
Exact Mass217.98
IUPAC Name5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide
SMILESCNc1n[nH]c(Br)c1C(N)=O
InChIInChI=1S/C5H7BrN4O/c1-8-5-2(4(7)11)3(6)9-10-5/h1H3,(H2,7,11)(H2,8,9,10)
InChIKeyHUUHJIVAAKLOGP-UHFFFAOYSA-N
XLogP0.31
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 135493710
3-bromo-5-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15563727
3-Bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide
CID 118024696
5-Amino-3-bromo-1-methyl-1H-pyrazole-4-carboxamide
CID 118024877
3-Amino-5-bromo-1H-pyrazole-4-carboxamide
CID 118024965
5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380724
5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine
CID 162381350
5-bromo-7-methyl-3H-pyrazolo[5,4-d]triazin-4-one
CID 136315617
5-amino-3-(ethylamino)-1H-pyrazole-4-carboxamide
CID 144926776
5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide
CID 162380629
5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380815

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide (CID 162380708) is 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide is CNc1n[nH]c(Br)c1C(N)=O.
What is the InChIKey of 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is HUUHJIVAAKLOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O/c1-8-5-2(4(7)11)3(6)9-10-5/h1H3,(H2,7,11)(H2,8,9,10).
What are the key properties of 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide?
5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 219.04 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 162380708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).