tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate

C15H24N6O2 — CID 107256358

IUPACtert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate
SMILESCn1ccnc1CNCc1cnn(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N6O2/c1-15(2,3)23-14(22)19-13-11(9-18-21(13)5)8-16-10-12-17-6-7-20(12)4/h6-7,9,16H,8,10H2,1-5H3,(H,19,22)
InChIKeyYGKPVQUVPNWKNG-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.79
Rot. Bonds5

About tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate

tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate (PubChem CID 107256358) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate
PubChem CID107256358
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Nametert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate
SMILESCn1ccnc1CNCc1cnn(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N6O2/c1-15(2,3)23-14(22)19-13-11(9-18-21(13)5)8-16-10-12-17-6-7-20(12)4/h6-7,9,16H,8,10H2,1-5H3,(H,19,22)
InChIKeyYGKPVQUVPNWKNG-UHFFFAOYSA-N
XLogP1.79
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 107256290
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CID 107256328
tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate
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tert-butyl N-[2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]phenyl]carbamate
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tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
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tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
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2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]propanoic acid
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tert-butyl 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]piperidine-1-carboxylate
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2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
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tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate (CID 107256358) is tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate is Cn1ccnc1CNCc1cnn(C)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate?
The InChIKey is YGKPVQUVPNWKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-15(2,3)23-14(22)19-13-11(9-18-21(13)5)8-16-10-12-17-6-7-20(12)4/h6-7,9,16H,8,10H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate?
tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate has a molecular weight of 320.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate is sourced from PubChem (CID 107256358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).