[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

C18H27N5O3 — CID 3868399

IUPAC[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1cnn(COC(=O)C(C)(C)C)c1
InChIInChI=1S/C18H27N5O3/c1-17(2,3)14-8-13(22(7)21-14)15(24)20-12-9-19-23(10-12)11-26-16(25)18(4,5)6/h8-10H,11H2,1-7H3,(H,20,24)
InChIKeyVWLKJRJMKKYKLN-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.71
Rot. Bonds4

About [4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate (PubChem CID 3868399) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate
PubChem CID3868399
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1cnn(COC(=O)C(C)(C)C)c1
InChIInChI=1S/C18H27N5O3/c1-17(2,3)14-8-13(22(7)21-14)15(24)20-12-9-19-23(10-12)11-26-16(25)18(4,5)6/h8-10H,11H2,1-7H3,(H,20,24)
InChIKeyVWLKJRJMKKYKLN-UHFFFAOYSA-N
XLogP2.71
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate with MolForge

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Related Compounds

3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 95744342
2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697436
[4-[(2-pyrrol-1-ylbenzoyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate
CID 3670386
[4-(but-2-ynoxycarbonylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate
CID 3810996
N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119516235
N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119384846
3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10734263
3-tert-butyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 78898253
2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224356
3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
CID 78893081
N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267801
[4-[(3-bromoadamantane-1-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate
CID 3716793

Frequently Asked Questions

What is the IUPAC name of [4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate (CID 3868399) is [4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate is Cn1nc(C(C)(C)C)cc1C(=O)Nc1cnn(COC(=O)C(C)(C)C)c1.
What is the InChIKey of [4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is VWLKJRJMKKYKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-17(2,3)14-8-13(22(7)21-14)15(24)20-12-9-19-23(10-12)11-26-16(25)18(4,5)6/h8-10H,11H2,1-7H3,(H,20,24).
What are the key properties of [4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate?
[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 361.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 3868399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).