benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate

C19H25N3O4 — CID 59008409

IUPACbenzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate
SMILESCc1c(CC2OCCO2)c(CCNC(=O)OCc2ccccc2)nn1C
InChIInChI=1S/C19H25N3O4/c1-14-16(12-18-24-10-11-25-18)17(21-22(14)2)8-9-20-19(23)26-13-15-6-4-3-5-7-15/h3-7,18H,8-13H2,1-2H3,(H,20,23)
InChIKeyDORSHXNJOJBKLQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.11
Rot. Bonds7

About benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate

benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate (PubChem CID 59008409) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate
PubChem CID59008409
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namebenzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate
SMILESCc1c(CC2OCCO2)c(CCNC(=O)OCc2ccccc2)nn1C
InChIInChI=1S/C19H25N3O4/c1-14-16(12-18-24-10-11-25-18)17(21-22(14)2)8-9-20-19(23)26-13-15-6-4-3-5-7-15/h3-7,18H,8-13H2,1-2H3,(H,20,23)
InChIKeyDORSHXNJOJBKLQ-UHFFFAOYSA-N
XLogP2.11
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate
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benzyl N-[2-(methylamino)ethyl]carbamate
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benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate (CID 59008409) is benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate is Cc1c(CC2OCCO2)c(CCNC(=O)OCc2ccccc2)nn1C.
What is the InChIKey of benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate?
The InChIKey is DORSHXNJOJBKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-14-16(12-18-24-10-11-25-18)17(21-22(14)2)8-9-20-19(23)26-13-15-6-4-3-5-7-15/h3-7,18H,8-13H2,1-2H3,(H,20,23).
What are the key properties of benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate?
benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate has a molecular weight of 359.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[4-(1,3-dioxolan-2-ylmethyl)-1,5-dimethylpyrazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 59008409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).