ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate

C13H21N3O2 — CID 64975145

IUPACethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1c(C)n[nH]c1C
InChIInChI=1S/C13H21N3O2/c1-4-18-13(17)12(14-7-10-5-6-10)11-8(2)15-16-9(11)3/h10,12,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyVMCAEBBNLQCPTG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.63
Rot. Bonds6

About ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate

ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate (PubChem CID 64975145) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
PubChem CID64975145
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1c(C)n[nH]c1C
InChIInChI=1S/C13H21N3O2/c1-4-18-13(17)12(14-7-10-5-6-10)11-8(2)15-16-9(11)3/h10,12,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyVMCAEBBNLQCPTG-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate 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

ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 64975108
ethyl 2-(4-chloroanilino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 64975071
ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
CID 54894410
ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 61001864
ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate
CID 54894456
ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66163023
ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345226
ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate
CID 104816560
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
CID 64975118
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(hexanoylamino)acetic acid
CID 95207705
ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate
CID 107698194
ethyl 2-(cyclopropylmethylamino)-5-methylsulfanylpentanoate
CID 103089350

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate (CID 64975145) is ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate is CCOC(=O)C(NCC1CC1)c1c(C)n[nH]c1C.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The InChIKey is VMCAEBBNLQCPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-13(17)12(14-7-10-5-6-10)11-8(2)15-16-9(11)3/h10,12,14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate has a molecular weight of 251.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 64975145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).