tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate

C16H28N4O2 — CID 124509244

IUPACtert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
SMILESCn1cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cn1
InChIInChI=1S/C16H28N4O2/c1-15(2,3)22-14(21)17-11-16(4,13-6-7-13)18-8-12-9-19-20(5)10-12/h9-10,13,18H,6-8,11H2,1-5H3,(H,17,21)/t16-/m1/s1
InChIKeySRZMGVFQVYQFNJ-MRXNPFEDSA-N
MW308.43 g/mol
LogP2.20
Rot. Bonds6

About tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate

tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate (PubChem CID 124509244) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
PubChem CID124509244
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
SMILESCn1cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cn1
InChIInChI=1S/C16H28N4O2/c1-15(2,3)22-14(21)17-11-16(4,13-6-7-13)18-8-12-9-19-20(5)10-12/h9-10,13,18H,6-8,11H2,1-5H3,(H,17,21)/t16-/m1/s1
InChIKeySRZMGVFQVYQFNJ-MRXNPFEDSA-N
XLogP2.20
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-cyclopropyl-2-(ethylamino)propyl]carbamate
CID 103790492
tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate
CID 103740239
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate
CID 103768694
tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate
CID 107252087
tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate
CID 107252088
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl N-[2-cyclopropyl-2-(1H-pyrazol-5-ylmethylamino)propyl]carbamate
CID 103740233
tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)propyl]carbamate
CID 106508210
tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
CID 103790504
tert-butyl N-[3-methyl-2-[[(1-methylpyrazol-4-yl)methylamino]methyl]butyl]carbamate
CID 107442025
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
CID 103761015

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate (CID 124509244) is tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate is Cn1cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cn1.
What is the InChIKey of tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate?
The InChIKey is SRZMGVFQVYQFNJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-15(2,3)22-14(21)17-11-16(4,13-6-7-13)18-8-12-9-19-20(5)10-12/h9-10,13,18H,6-8,11H2,1-5H3,(H,17,21)/t16-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate?
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate has a molecular weight of 308.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate is sourced from PubChem (CID 124509244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).