methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate

C10H18N4O2 — CID 103078315

IUPACmethyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate
SMILESCOC(=O)C(Nc1nn(C)cc1N)C(C)C
InChIInChI=1S/C10H18N4O2/c1-6(2)8(10(15)16-4)12-9-7(11)5-14(3)13-9/h5-6,8H,11H2,1-4H3,(H,12,13)
InChIKeyRVXFFNINFTVCCP-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.61
Rot. Bonds4

About methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate

methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate (PubChem CID 103078315) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate
PubChem CID103078315
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Namemethyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate
SMILESCOC(=O)C(Nc1nn(C)cc1N)C(C)C
InChIInChI=1S/C10H18N4O2/c1-6(2)8(10(15)16-4)12-9-7(11)5-14(3)13-9/h5-6,8H,11H2,1-4H3,(H,12,13)
InChIKeyRVXFFNINFTVCCP-UHFFFAOYSA-N
XLogP0.61
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine
CID 103078594
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355744
3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine
CID 103078915
1-methyl-3-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 106387646
3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078331
3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine
CID 103078240
methyl 2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 114043734
methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 65358129
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate
CID 79718493
methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate
CID 62938384
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 104564300
5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide
CID 106234066

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate (CID 103078315) is methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate is COC(=O)C(Nc1nn(C)cc1N)C(C)C.
What is the InChIKey of methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate?
The InChIKey is RVXFFNINFTVCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(2)8(10(15)16-4)12-9-7(11)5-14(3)13-9/h5-6,8H,11H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate?
methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate has a molecular weight of 226.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate is sourced from PubChem (CID 103078315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).