tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate

C14H22N6O2 — CID 107256000

IUPACtert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
SMILESCc1[nH]ncc1CNCc1cn[nH]c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N6O2/c1-9-10(7-16-19-9)5-15-6-11-8-17-20-12(11)18-13(21)22-14(2,3)4/h7-8,15H,5-6H2,1-4H3,(H,16,19)(H2,17,18,20,21)
InChIKeyQTAKOPIUCZGRJK-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.08
Rot. Bonds5

About tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate

tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate (PubChem CID 107256000) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
PubChem CID107256000
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Nametert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
SMILESCc1[nH]ncc1CNCc1cn[nH]c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N6O2/c1-9-10(7-16-19-9)5-15-6-11-8-17-20-12(11)18-13(21)22-14(2,3)4/h7-8,15H,5-6H2,1-4H3,(H,16,19)(H2,17,18,20,21)
InChIKeyQTAKOPIUCZGRJK-UHFFFAOYSA-N
XLogP2.08
TPSA107.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[(pyridin-4-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255989
tert-butyl N-[4-[[(2,4,5-trifluorophenyl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 114058013
tert-butyl N-[4-[[(5-methyl-2-pyridinyl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256065
tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256004
tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate
CID 103818455
tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256095
tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255997
tert-butyl N-[4-[(pyridin-2-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256122
tert-butyl N-[4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256103
tert-butyl N-[4-[[(3-methyloxetan-3-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256114
tert-butyl N-[4-[(oxan-3-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256057
tert-butyl N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245687

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate (CID 107256000) is tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate is Cc1[nH]ncc1CNCc1cn[nH]c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The InChIKey is QTAKOPIUCZGRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-9-10(7-16-19-9)5-15-6-11-8-17-20-12(11)18-13(21)22-14(2,3)4/h7-8,15H,5-6H2,1-4H3,(H,16,19)(H2,17,18,20,21).
What are the key properties of tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?
tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate has a molecular weight of 306.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate is sourced from PubChem (CID 107256000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).