tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate

C14H18N4O2 — CID 134193569

IUPACtert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)16-10-11-5-6-12(15-9-11)18-8-4-7-17-18/h4-9H,10H2,1-3H3,(H,16,19)
InChIKeyREILQJKDFSSOEA-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.29
Rot. Bonds3

About tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate

tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate (PubChem CID 134193569) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
PubChem CID134193569
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nametert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)16-10-11-5-6-12(15-9-11)18-8-4-7-17-18/h4-9H,10H2,1-3H3,(H,16,19)
InChIKeyREILQJKDFSSOEA-UHFFFAOYSA-N
XLogP2.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
tert-butyl 4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]piperazine-1-carboxylate
CID 102546803
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 25480347
tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
CID 170765076
tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate
CID 51095358
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 47062005

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate (CID 134193569) is tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(-n2cccn2)nc1.
What is the InChIKey of tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate?
The InChIKey is REILQJKDFSSOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)16-10-11-5-6-12(15-9-11)18-8-4-7-17-18/h4-9H,10H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate?
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate has a molecular weight of 274.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate is sourced from PubChem (CID 134193569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).