1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C7H9N3O — CID 45121258

IUPAC1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C7H9N3O/c8-7(11)6-4-2-1-3-5(4)9-10-6/h1-3H2,(H2,8,11)(H,9,10)
InChIKeyRUYWILNRQBUQRK-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.00
Rot. Bonds1

About 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 45121258) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID45121258
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C7H9N3O/c8-7(11)6-4-2-1-3-5(4)9-10-6/h1-3H2,(H2,8,11)(H,9,10)
InChIKeyRUYWILNRQBUQRK-UHFFFAOYSA-N
XLogP-0.00
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 45121258) is 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is NC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is RUYWILNRQBUQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-7(11)6-4-2-1-3-5(4)9-10-6/h1-3H2,(H2,8,11)(H,9,10).
What are the key properties of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 151.17 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 45121258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).