tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate

C12H18N4O3 — CID 70305538

IUPACtert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cn[nH]c2C(C(N)=O)C1
InChIInChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)16-5-7-4-14-15-9(7)8(6-16)10(13)17/h4,8H,5-6H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyXNBHLEXVZIGRTB-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.73
Rot. Bonds1

About tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate

tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate (PubChem CID 70305538) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
PubChem CID70305538
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nametert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cn[nH]c2C(C(N)=O)C1
InChIInChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)16-5-7-4-14-15-9(7)8(6-16)10(13)17/h4,8H,5-6H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyXNBHLEXVZIGRTB-UHFFFAOYSA-N
XLogP0.73
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-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

5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine
CID 10398680
tert-Butyl 7,7-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
CID 37818370
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7R)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527256
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527165
1,1-Dimethylethyl 1,4,5,7-tetrahydro-6H-pyrazolo(3,4-c)pyridine-6-carboxylate
CID 57345832
5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylic acid
CID 59430421
Tert-butyl 4,5,11-triazatricyclo[6.2.1.0,2,6]undeca-2(6),3-diene-11-carboxylate
CID 119106461
1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)-2-piperidinone
CID 45202380
1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)-2-piperidinone
CID 45210551
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 71933304
(3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide
CID 95903893

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate (CID 70305538) is tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1Cc2cn[nH]c2C(C(N)=O)C1.
What is the InChIKey of tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
The InChIKey is XNBHLEXVZIGRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)16-5-7-4-14-15-9(7)8(6-16)10(13)17/h4,8H,5-6H2,1-3H3,(H2,13,17)(H,14,15).
What are the key properties of tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 70305538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).