N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide

C14H21N3O2 — CID 90652113

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCCC2)C1CCCO1
InChIInChI=1S/C14H21N3O2/c18-14(13-7-4-8-19-13)15-9-12-10-5-2-1-3-6-11(10)16-17-12/h13H,1-9H2,(H,15,18)(H,16,17)
InChIKeyHMVZSOZMPMOMTB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.47
Rot. Bonds3

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide (PubChem CID 90652113) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide
PubChem CID90652113
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCCC2)C1CCCO1
InChIInChI=1S/C14H21N3O2/c18-14(13-7-4-8-19-13)15-9-12-10-5-2-1-3-6-11(10)16-17-12/h13H,1-9H2,(H,15,18)(H,16,17)
InChIKeyHMVZSOZMPMOMTB-UHFFFAOYSA-N
XLogP1.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide (CID 90652113) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide is O=C(NCc1n[nH]c2c1CCCCC2)C1CCCO1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide?
The InChIKey is HMVZSOZMPMOMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14(13-7-4-8-19-13)15-9-12-10-5-2-1-3-6-11(10)16-17-12/h13H,1-9H2,(H,15,18)(H,16,17).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 90652113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).