tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate

C17H30N4O2 — CID 107237895

IUPACtert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate
SMILESCCn1nc(C)c(C(C)NC2CC2NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C17H30N4O2/c1-8-21-12(4)15(11(3)20-21)10(2)18-13-9-14(13)19-16(22)23-17(5,6)7/h10,13-14,18H,8-9H2,1-7H3,(H,19,22)
InChIKeyKSCQORJTXGCVRD-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.84
Rot. Bonds5

About tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate

tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate (PubChem CID 107237895) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate
PubChem CID107237895
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate
SMILESCCn1nc(C)c(C(C)NC2CC2NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C17H30N4O2/c1-8-21-12(4)15(11(3)20-21)10(2)18-13-9-14(13)19-16(22)23-17(5,6)7/h10,13-14,18H,8-9H2,1-7H3,(H,19,22)
InChIKeyKSCQORJTXGCVRD-UHFFFAOYSA-N
XLogP2.84
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]propyl]carbamate
CID 103781144
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate
CID 107238280
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107238308
tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237572
tert-butyl N-[2-(1-pyrazin-2-ylethylamino)cyclopropyl]carbamate
CID 107237510
tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881
tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate
CID 107237567
tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate
CID 107238238
tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237655
tert-butyl N-[2-[1-(2,4-dihydroxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107237842

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate (CID 107237895) is tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate is CCn1nc(C)c(C(C)NC2CC2NC(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate?
The InChIKey is KSCQORJTXGCVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-8-21-12(4)15(11(3)20-21)10(2)18-13-9-14(13)19-16(22)23-17(5,6)7/h10,13-14,18H,8-9H2,1-7H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107237895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).