methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate

C12H15N5O3 — CID 61017975

IUPACmethyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)CCn2cccn2)cn1
InChIInChI=1S/C12H15N5O3/c1-20-12(19)9-17-8-10(7-14-17)15-11(18)3-6-16-5-2-4-13-16/h2,4-5,7-8H,3,6,9H2,1H3,(H,15,18)
InChIKeyZUVNTRANZYNFNR-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.28
Rot. Bonds6

About methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate

methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate (PubChem CID 61017975) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate
PubChem CID61017975
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Namemethyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)CCn2cccn2)cn1
InChIInChI=1S/C12H15N5O3/c1-20-12(19)9-17-8-10(7-14-17)15-11(18)3-6-16-5-2-4-13-16/h2,4-5,7-8H,3,6,9H2,1H3,(H,15,18)
InChIKeyZUVNTRANZYNFNR-UHFFFAOYSA-N
XLogP0.28
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017369
methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017726
methyl 2-[4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazol-1-yl]acetate
CID 61018368
methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate
CID 61017367
N-[1-(methoxymethyl)pyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559500
N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 104939286
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
methyl 2-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]pyrazol-1-yl]acetate
CID 79166313
methyl 2-[4-[(3,4-dihydroxybenzoyl)amino]pyrazol-1-yl]acetate
CID 103956596
methyl 2-[4-[(3-chloro-2-methylbenzoyl)amino]pyrazol-1-yl]acetate
CID 99843425

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate (CID 61017975) is methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate is COC(=O)Cn1cc(NC(=O)CCn2cccn2)cn1.
What is the InChIKey of methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate?
The InChIKey is ZUVNTRANZYNFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-20-12(19)9-17-8-10(7-14-17)15-11(18)3-6-16-5-2-4-13-16/h2,4-5,7-8H,3,6,9H2,1H3,(H,15,18).
What are the key properties of methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate?
methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate has a molecular weight of 277.28 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate is sourced from PubChem (CID 61017975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).