N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H24ClN5O — CID 56909944

IUPACN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cn[nH]c1-c1ccc(Cl)cc1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C19H24ClN5O/c20-15-3-1-13(2-4-15)17-14(11-24-25-17)10-22-18(26)16-9-19(12-23-16)5-7-21-8-6-19/h1-4,11,16,21,23H,5-10,12H2,(H,22,26)(H,24,25)
InChIKeyKMIGTDULBOHBQA-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.08
Rot. Bonds4

About N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56909944) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56909944
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cn[nH]c1-c1ccc(Cl)cc1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C19H24ClN5O/c20-15-3-1-13(2-4-15)17-14(11-24-25-17)10-22-18(26)16-9-19(12-23-16)5-7-21-8-6-19/h1-4,11,16,21,23H,5-10,12H2,(H,22,26)(H,24,25)
InChIKeyKMIGTDULBOHBQA-UHFFFAOYSA-N
XLogP2.08
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56909944) is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCc1cn[nH]c1-c1ccc(Cl)cc1)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is KMIGTDULBOHBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c20-15-3-1-13(2-4-15)17-14(11-24-25-17)10-22-18(26)16-9-19(12-23-16)5-7-21-8-6-19/h1-4,11,16,21,23H,5-10,12H2,(H,22,26)(H,24,25).
What are the key properties of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56909944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).