N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide

C21H25N5O3 — CID 136524239

IUPACN-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C21H25N5O3/c1-14-17(12-23-25-14)18(27)22-11-15-7-3-4-8-16(15)13-26-19(28)21(24-20(26)29)9-5-2-6-10-21/h3-4,7-8,12H,2,5-6,9-11,13H2,1H3,(H,22,27)(H,23,25)(H,24,29)
InChIKeyLVXGDDOVZZBSCQ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.40
Rot. Bonds5

About N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 136524239) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID136524239
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C21H25N5O3/c1-14-17(12-23-25-14)18(27)22-11-15-7-3-4-8-16(15)13-26-19(28)21(24-20(26)29)9-5-2-6-10-21/h3-4,7-8,12H,2,5-6,9-11,13H2,1H3,(H,22,27)(H,23,25)(H,24,29)
InChIKeyLVXGDDOVZZBSCQ-UHFFFAOYSA-N
XLogP2.40
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 136524239) is N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is LVXGDDOVZZBSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-17(12-23-25-14)18(27)22-11-15-7-3-4-8-16(15)13-26-19(28)21(24-20(26)29)9-5-2-6-10-21/h3-4,7-8,12H,2,5-6,9-11,13H2,1H3,(H,22,27)(H,23,25)(H,24,29).
What are the key properties of N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 136524239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).