methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate

C10H16N4O3 — CID 64525404

IUPACmethyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(N)n[nH]1)C(C)C
InChIInChI=1S/C10H16N4O3/c1-5(2)8(10(16)17-3)12-9(15)6-4-7(11)14-13-6/h4-5,8H,1-3H3,(H,12,15)(H3,11,13,14)
InChIKeyRQMDVIUDYNSKJN-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.08
Rot. Bonds4

About methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate

methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate (PubChem CID 64525404) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate
PubChem CID64525404
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Namemethyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(N)n[nH]1)C(C)C
InChIInChI=1S/C10H16N4O3/c1-5(2)8(10(16)17-3)12-9(15)6-4-7(11)14-13-6/h4-5,8H,1-3H3,(H,12,15)(H3,11,13,14)
InChIKeyRQMDVIUDYNSKJN-UHFFFAOYSA-N
XLogP-0.08
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 64524870
3-amino-N-(2-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 64524872
3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 64524871
methyl 2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoate
CID 43422679
methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate
CID 107211630
3-amino-N-(1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523510
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 106281052
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate
CID 82546712
methyl (2S)-3-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]butanoate
CID 114040338
3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
CID 64525274
methyl 2-[(3,5-dihydroxybenzoyl)amino]-3-methylbutanoate
CID 113347317

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate (CID 64525404) is methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1cc(N)n[nH]1)C(C)C.
What is the InChIKey of methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate?
The InChIKey is RQMDVIUDYNSKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5(2)8(10(16)17-3)12-9(15)6-4-7(11)14-13-6/h4-5,8H,1-3H3,(H,12,15)(H3,11,13,14).
What are the key properties of methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate has a molecular weight of 240.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 64525404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).