tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate

C14H23N3O2 — CID 169467138

IUPACtert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate
SMILESCCCn1cc(C=CCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H23N3O2/c1-5-9-17-11-12(10-16-17)7-6-8-15-13(18)19-14(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,15,18)
InChIKeyRDNJYMBGDNIRAG-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.83
Rot. Bonds5

About tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate (PubChem CID 169467138) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate
PubChem CID169467138
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate
SMILESCCCn1cc(C=CCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H23N3O2/c1-5-9-17-11-12(10-16-17)7-6-8-15-13(18)19-14(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,15,18)
InChIKeyRDNJYMBGDNIRAG-UHFFFAOYSA-N
XLogP2.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103740168
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169466995
tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate
CID 170831773
4-(1-propylpyrazol-4-yl)but-3-en-1-ol
CID 170476200
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate
CID 169468518
tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169466948
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propylpyrazol-4-yl)propanoic acid
CID 103572263
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169467876
(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate (CID 169467138) is tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate is CCCn1cc(C=CCNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate?
The InChIKey is RDNJYMBGDNIRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-9-17-11-12(10-16-17)7-6-8-15-13(18)19-14(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).