tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate

C17H28N4O2 — CID 167885406

IUPACtert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CCC(C1)C2NCc1ccn[nH]1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-14-8-11-4-5-12(9-14)15(11)18-10-13-6-7-19-21-13/h6-7,11-12,14-15,18H,4-5,8-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRXAVPNQQDVJDOO-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.58
Rot. Bonds4

About tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate

tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate (PubChem CID 167885406) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate
PubChem CID167885406
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CCC(C1)C2NCc1ccn[nH]1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-14-8-11-4-5-12(9-14)15(11)18-10-13-6-7-19-21-13/h6-7,11-12,14-15,18H,4-5,8-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRXAVPNQQDVJDOO-UHFFFAOYSA-N
XLogP2.58
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 61285481
tert-butyl N-[2-cyclopropyl-2-(1H-pyrazol-5-ylmethylamino)propyl]carbamate
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tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
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3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine
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tert-butyl 3,3-dimethyl-5-(1H-pyrazol-5-ylmethylamino)azepane-1-carboxylate
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tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
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tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate
CID 107251255
tert-butyl (3S)-3-methoxy-4-(1H-pyrazol-5-ylmethylamino)pyrrolidine-1-carboxylate
CID 103845395
tert-butyl N-[3-(1H-1,2,4-triazol-5-yl)cyclobutyl]carbamate
CID 122431420
tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237572
tert-butyl N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]carbamate
CID 103720141

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate?
The IUPAC name of tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate (CID 167885406) is tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate.
What is the SMILES notation for tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate?
The canonical SMILES for tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate is CC(C)(C)OC(=O)NC1CC2CCC(C1)C2NCc1ccn[nH]1.
What is the InChIKey of tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate?
The InChIKey is RXAVPNQQDVJDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-14-8-11-4-5-12(9-14)15(11)18-10-13-6-7-19-21-13/h6-7,11-12,14-15,18H,4-5,8-10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate?
tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate has a molecular weight of 320.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate is sourced from PubChem (CID 167885406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).