methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate

C11H17N5O3 — CID 55033994

IUPACmethyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2n[nH]c(C)c2N)CC1
InChIInChI=1S/C11H17N5O3/c1-7-8(12)9(14-13-7)10(17)15-3-5-16(6-4-15)11(18)19-2/h3-6,12H2,1-2H3,(H,13,14)
InChIKeyUEMNNNXDLXFKCW-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.18
Rot. Bonds1

About methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate

methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate (PubChem CID 55033994) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate
PubChem CID55033994
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Namemethyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2n[nH]c(C)c2N)CC1
InChIInChI=1S/C11H17N5O3/c1-7-8(12)9(14-13-7)10(17)15-3-5-16(6-4-15)11(18)19-2/h3-6,12H2,1-2H3,(H,13,14)
InChIKeyUEMNNNXDLXFKCW-UHFFFAOYSA-N
XLogP-0.18
TPSA104.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 275984
CID 275984
CID 282819
CID 282819
CID 282820
CID 282820
CID 3061962
CID 3061962
CID 3061965
CID 3061965
CID 53017422
CID 53017422
CID 282818
CID 282818
CID 282821
CID 282821
CID 23274562
CID 23274562
CID 23274836
CID 23274836
CID 23275123
CID 23275123
CID 70809846
CID 70809846

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate (CID 55033994) is methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2n[nH]c(C)c2N)CC1.
What is the InChIKey of methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is UEMNNNXDLXFKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7-8(12)9(14-13-7)10(17)15-3-5-16(6-4-15)11(18)19-2/h3-6,12H2,1-2H3,(H,13,14).
What are the key properties of methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate?
methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 267.29 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 55033994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).