tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate

C16H20N4O2 — CID 169213375

IUPACtert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn(-c2cccnc2)c1C1CC1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)22-15(21)19-13-10-18-20(14(13)11-6-7-11)12-5-4-8-17-9-12/h4-5,8-11H,6-7H2,1-3H3,(H,19,21)
InChIKeyYOKIIAUUWAHUHJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.49
Rot. Bonds3

About tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate

tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate (PubChem CID 169213375) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate
PubChem CID169213375
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nametert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn(-c2cccnc2)c1C1CC1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)22-15(21)19-13-10-18-20(14(13)11-6-7-11)12-5-4-8-17-9-12/h4-5,8-11H,6-7H2,1-3H3,(H,19,21)
InChIKeyYOKIIAUUWAHUHJ-UHFFFAOYSA-N
XLogP3.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate
CID 90215384
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
tert-butyl N-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 169213488
tert-butyl 4-[1-(4-chlorophenyl)-4-(pyridin-3-ylcarbamoyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281080
tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
CID 21334263
tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate
CID 86775149
tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
tert-butyl N-(1-pyridin-3-ylpiperidin-3-yl)carbamate;1-pyridin-3-ylpiperidin-3-amine
CID 167592653
(5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid
CID 67499904
tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane
CID 158140045
tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate
CID 67289423
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate (CID 169213375) is tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate is CC(C)(C)OC(=O)Nc1cnn(-c2cccnc2)c1C1CC1.
What is the InChIKey of tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate?
The InChIKey is YOKIIAUUWAHUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(2,3)22-15(21)19-13-10-18-20(14(13)11-6-7-11)12-5-4-8-17-9-12/h4-5,8-11H,6-7H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate?
tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate has a molecular weight of 300.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate is sourced from PubChem (CID 169213375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).