acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C17H26N4O3 — CID 154888133

IUPACacetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC(=O)O.O=C(NCc1cc(C2CC2)n[nH]1)C1CC12CCNCC2
InChIInChI=1S/C15H22N4O.C2H4O2/c20-14(12-8-15(12)3-5-16-6-4-15)17-9-11-7-13(19-18-11)10-1-2-10;1-2(3)4/h7,10,12,16H,1-6,8-9H2,(H,17,20)(H,18,19);1H3,(H,3,4)
InChIKeyCKYYZWJDKODRCI-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.38
Rot. Bonds4

About acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 154888133) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Nameacetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID154888133
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nameacetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC(=O)O.O=C(NCc1cc(C2CC2)n[nH]1)C1CC12CCNCC2
InChIInChI=1S/C15H22N4O.C2H4O2/c20-14(12-8-15(12)3-5-16-6-4-15)17-9-11-7-13(19-18-11)10-1-2-10;1-2(3)4/h7,10,12,16H,1-6,8-9H2,(H,17,20)(H,18,19);1H3,(H,3,4)
InChIKeyCKYYZWJDKODRCI-UHFFFAOYSA-N
XLogP1.38
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 154888133) is acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is CC(=O)O.O=C(NCc1cc(C2CC2)n[nH]1)C1CC12CCNCC2.
What is the InChIKey of acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is CKYYZWJDKODRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.C2H4O2/c20-14(12-8-15(12)3-5-16-6-4-15)17-9-11-7-13(19-18-11)10-1-2-10;1-2(3)4/h7,10,12,16H,1-6,8-9H2,(H,17,20)(H,18,19);1H3,(H,3,4).
What are the key properties of acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 154888133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).