4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid

C10H14BrN3O2 — CID 63038808

IUPAC4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid
SMILESO=C(O)C(CCn1cc(Br)cn1)NC1CC1
InChIInChI=1S/C10H14BrN3O2/c11-7-5-12-14(6-7)4-3-9(10(15)16)13-8-1-2-8/h5-6,8-9,13H,1-4H2,(H,15,16)
InChIKeyBRNSQHUNGWFWQB-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.24
Rot. Bonds6

About 4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid

4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid (PubChem CID 63038808) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid
PubChem CID63038808
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid
SMILESO=C(O)C(CCn1cc(Br)cn1)NC1CC1
InChIInChI=1S/C10H14BrN3O2/c11-7-5-12-14(6-7)4-3-9(10(15)16)13-8-1-2-8/h5-6,8-9,13H,1-4H2,(H,15,16)
InChIKeyBRNSQHUNGWFWQB-UHFFFAOYSA-N
XLogP1.24
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-bromopyrazol-1-yl)-2-(propylamino)butanoate
CID 63041254
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
CID 19561744
4-(4-bromophenyl)sulfanyl-2-(cyclopropylamino)butanoic acid
CID 63035692
2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79571985
2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid
CID 63055407
(2S)-2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 119361792
(3S,4S)-1-[2-(4-bromopyrazol-1-yl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122014093
2-(cyclopropylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
CID 63054189
5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64810706
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
methyl 3-[(4-bromopyrazol-1-yl)methyl]azetidine-1-carboxylate
CID 178121840
(2S)-1-(azepan-1-yl)-3-(4-bromopyrazol-1-yl)-2-methylpropan-1-one
CID 35527714

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid (CID 63038808) is 4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid is O=C(O)C(CCn1cc(Br)cn1)NC1CC1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid?
The InChIKey is BRNSQHUNGWFWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-7-5-12-14(6-7)4-3-9(10(15)16)13-8-1-2-8/h5-6,8-9,13H,1-4H2,(H,15,16).
What are the key properties of 4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid?
4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid has a molecular weight of 288.14 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid is sourced from PubChem (CID 63038808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).