tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

C17H31N5O4 — CID 86597875

IUPACtert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCn1ncc(C(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1N
InChIInChI=1S/C17H31N5O4/c1-16(2,3)25-14(23)19-8-11(12-10-21-22(7)13(12)18)9-20-15(24)26-17(4,5)6/h10-11H,8-9,18H2,1-7H3,(H,19,23)(H,20,24)
InChIKeyGYDLOHJFWFCROT-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.14
Rot. Bonds5

About tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate (PubChem CID 86597875) has the molecular formula C17H31N5O4 and a molecular weight of 369.47 g/mol. Its IUPAC name is tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
PubChem CID86597875
Molecular FormulaC17H31N5O4
Molecular Weight369.47 g/mol
Exact Mass369.24
IUPAC Nametert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCn1ncc(C(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1N
InChIInChI=1S/C17H31N5O4/c1-16(2,3)25-14(23)19-8-11(12-10-21-22(7)13(12)18)9-20-15(24)26-17(4,5)6/h10-11H,8-9,18H2,1-7H3,(H,19,23)(H,20,24)
InChIKeyGYDLOHJFWFCROT-UHFFFAOYSA-N
XLogP2.14
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169466995
[[[(2S)-1-[(5-amino-1-methylpyrazol-4-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]amino]-(carboxyamino)methyl]carbamic acid
CID 87481939
tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate
CID 84728085
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate
CID 117465942
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[3-[[(2S)-1-[(5-amino-1-methylpyrazol-4-yl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
CID 86597893
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
(3S)-3-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 79584929
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
tert-butyl N-[(4S)-5-[(5-amino-1-methylpyrazol-4-yl)amino]-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-oxopentyl]carbamate
CID 86597895
tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate
CID 99801513
tert-butyl N-[(2R)-2-amino-2-pyrimidin-5-ylethyl]carbamate
CID 99905265

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate (CID 86597875) is tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is Cn1ncc(C(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1N.
What is the InChIKey of tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The InChIKey is GYDLOHJFWFCROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O4/c1-16(2,3)25-14(23)19-8-11(12-10-21-22(7)13(12)18)9-20-15(24)26-17(4,5)6/h10-11H,8-9,18H2,1-7H3,(H,19,23)(H,20,24).
What are the key properties of tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate has a molecular weight of 369.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is sourced from PubChem (CID 86597875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).