methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate

C11H13N5O2 — CID 66285222

IUPACmethyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate
SMILESCCn1cc(Nc2ccnc(C(=O)OC)n2)cn1
InChIInChI=1S/C11H13N5O2/c1-3-16-7-8(6-13-16)14-9-4-5-12-10(15-9)11(17)18-2/h4-7H,3H2,1-2H3,(H,12,14,15)
InChIKeyUUWUVAMFPKCWJK-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.22
Rot. Bonds4

About methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate

methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate (PubChem CID 66285222) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate
PubChem CID66285222
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Namemethyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate
SMILESCCn1cc(Nc2ccnc(C(=O)OC)n2)cn1
InChIInChI=1S/C11H13N5O2/c1-3-16-7-8(6-13-16)14-9-4-5-12-10(15-9)11(17)18-2/h4-7H,3H2,1-2H3,(H,12,14,15)
InChIKeyUUWUVAMFPKCWJK-UHFFFAOYSA-N
XLogP1.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-methoxycarbonylpyrimidin-4-yl)amino]benzoic acid
CID 66288597
methyl 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-2-carboxylate
CID 114403655
2-[(2-methoxycarbonylpyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 79792394
methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
CID 66287417
4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide
CID 43543672
methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate
CID 43777055
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
2-ethyl-6-[(1-ethylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 113380138
2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 146124735
methyl 4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidine-2-carboxylate
CID 80688690
methyl 4-[2-(dimethylcarbamoylamino)ethylamino]pyrimidine-2-carboxylate
CID 83114374
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrimidine-2-carboxylate
CID 106254630

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate (CID 66285222) is methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate is CCn1cc(Nc2ccnc(C(=O)OC)n2)cn1.
What is the InChIKey of methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate?
The InChIKey is UUWUVAMFPKCWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-16-7-8(6-13-16)14-9-4-5-12-10(15-9)11(17)18-2/h4-7H,3H2,1-2H3,(H,12,14,15).
What are the key properties of methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate?
methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate has a molecular weight of 247.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66285222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).