tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate

C17H32N4O2 — CID 103714741

IUPACtert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate
SMILESCCn1cc(CNCC(CC)(CC)NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H32N4O2/c1-7-17(8-2,20-15(22)23-16(4,5)6)13-18-10-14-11-19-21(9-3)12-14/h11-12,18H,7-10,13H2,1-6H3,(H,20,22)
InChIKeyRBSUJCSZBAYFPO-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.08
Rot. Bonds8

About tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate

tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate (PubChem CID 103714741) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate
PubChem CID103714741
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate
SMILESCCn1cc(CNCC(CC)(CC)NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H32N4O2/c1-7-17(8-2,20-15(22)23-16(4,5)6)13-18-10-14-11-19-21(9-3)12-14/h11-12,18H,7-10,13H2,1-6H3,(H,20,22)
InChIKeyRBSUJCSZBAYFPO-UHFFFAOYSA-N
XLogP3.08
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[(1-but-2-ynylpyrazol-4-yl)methyl]carbamate
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tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate
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tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate
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tert-butyl N-[[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate (CID 103714741) is tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate is CCn1cc(CNCC(CC)(CC)NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate?
The InChIKey is RBSUJCSZBAYFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-7-17(8-2,20-15(22)23-16(4,5)6)13-18-10-14-11-19-21(9-3)12-14/h11-12,18H,7-10,13H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate?
tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate is sourced from PubChem (CID 103714741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).