tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate

C14H25N3O4 — CID 170831773

IUPACtert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate
SMILESCCCn1cc(C(O)C(O)CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H25N3O4/c1-5-6-17-9-10(7-16-17)12(19)11(18)8-15-13(20)21-14(2,3)4/h7,9,11-12,18-19H,5-6,8H2,1-4H3,(H,15,20)
InChIKeyQVAJFSWDQQTAJQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.21
Rot. Bonds6

About tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate

tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate (PubChem CID 170831773) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate
PubChem CID170831773
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nametert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate
SMILESCCCn1cc(C(O)C(O)CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H25N3O4/c1-5-6-17-9-10(7-16-17)12(19)11(18)8-15-13(20)21-14(2,3)4/h7,9,11-12,18-19H,5-6,8H2,1-4H3,(H,15,20)
InChIKeyQVAJFSWDQQTAJQ-UHFFFAOYSA-N
XLogP1.21
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2,3-dihydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]carbamate
CID 170832479
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propylpyrazol-4-yl)propanoic acid
CID 103572263
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
tert-butyl N-[3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropyl]carbamate
CID 170833490
methyl 5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrimidine-2-carboxylate
CID 170832490
tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170831497
tert-butyl N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831537
tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate
CID 170831552
tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103740168
tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169467138
tert-butyl N-[3-(3,4-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831663
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate (CID 170831773) is tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate is CCCn1cc(C(O)C(O)CNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate?
The InChIKey is QVAJFSWDQQTAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-5-6-17-9-10(7-16-17)12(19)11(18)8-15-13(20)21-14(2,3)4/h7,9,11-12,18-19H,5-6,8H2,1-4H3,(H,15,20).
What are the key properties of tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate?
tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate is sourced from PubChem (CID 170831773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).