4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide

C11H13BrN6O2 — CID 4768465

IUPAC4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)CCn2cc(Br)cn2)c1C(N)=O
InChIInChI=1S/C11H13BrN6O2/c1-17-10(11(13)20)8(5-14-17)16-9(19)2-3-18-6-7(12)4-15-18/h4-6H,2-3H2,1H3,(H2,13,20)(H,16,19)
InChIKeyIMAPDISWPHJGKR-UHFFFAOYSA-N
MW341.17 g/mol
LogP0.51
Rot. Bonds5

About 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide

4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide (PubChem CID 4768465) has the molecular formula C11H13BrN6O2 and a molecular weight of 341.17 g/mol. Its IUPAC name is 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide
PubChem CID4768465
Molecular FormulaC11H13BrN6O2
Molecular Weight341.17 g/mol
Exact Mass340.03
IUPAC Name4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)CCn2cc(Br)cn2)c1C(N)=O
InChIInChI=1S/C11H13BrN6O2/c1-17-10(11(13)20)8(5-14-17)16-9(19)2-3-18-6-7(12)4-15-18/h4-6H,2-3H2,1H3,(H2,13,20)(H,16,19)
InChIKeyIMAPDISWPHJGKR-UHFFFAOYSA-N
XLogP0.51
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 4768427
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415406
4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415434
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415439
4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
N-(1,3-dimethyl-1H-pyrazol-4-yl)-4-nitro-1-methyl-1H-pyrazole-3-carboxamide
CID 831427
1-ethyl-4-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]amino}-1H-pyrazole-3-carboxamide
CID 4772788
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide hydrochloride
CID 44630897

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide (CID 4768465) is 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)CCn2cc(Br)cn2)c1C(N)=O.
What is the InChIKey of 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is IMAPDISWPHJGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6O2/c1-17-10(11(13)20)8(5-14-17)16-9(19)2-3-18-6-7(12)4-15-18/h4-6H,2-3H2,1H3,(H2,13,20)(H,16,19).
What are the key properties of 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide?
4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 341.17 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4768465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).