tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate

C14H18N4O2 — CID 67499598

IUPACtert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)17(4)12-9-16-18(10-12)11-6-5-7-15-8-11/h5-10H,1-4H3
InChIKeyUISNFTLLCIKXIY-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.64
Rot. Bonds2

About tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate

tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate (PubChem CID 67499598) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate
PubChem CID67499598
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nametert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)17(4)12-9-16-18(10-12)11-6-5-7-15-8-11/h5-10H,1-4H3
InChIKeyUISNFTLLCIKXIY-UHFFFAOYSA-N
XLogP2.64
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate 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

tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(trideuteriomethyl)carbamate
CID 90359856
N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone
CID 158826133
N-dimethylsulfinamoyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 130392037
tert-butyl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate
CID 71519697
tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate
CID 150876946
tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate
CID 69206152
N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide
CID 90359764
2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl acetate
CID 86700580
tert-butyl N-[3-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]propyl]-N-(pyridin-3-ylmethyl)carbamate
CID 55912589
tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate
CID 89243683
tert-butyl 1-pyridin-3-ylimidazole-4-carboxylate
CID 15069639
tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate
CID 83717033

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate (CID 67499598) is tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate is CN(C(=O)OC(C)(C)C)c1cnn(-c2cccnc2)c1.
What is the InChIKey of tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate?
The InChIKey is UISNFTLLCIKXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)17(4)12-9-16-18(10-12)11-6-5-7-15-8-11/h5-10H,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate?
tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate has a molecular weight of 274.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate is sourced from PubChem (CID 67499598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).