N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide

C22H23N5O3 — CID 124850117

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1n[nH]c(C)c1CNC(=O)CC[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C22H23N5O3/c1-13-17(14(2)26-25-13)12-23-20(28)11-10-18-21(29)27(22(30)24-18)19-9-5-7-15-6-3-4-8-16(15)19/h3-9,18H,10-12H2,1-2H3,(H,23,28)(H,24,30)(H,25,26)/t18-/m1/s1
InChIKeyPZTPULAMKOUSOV-GOSISDBHSA-N
MW405.46 g/mol
LogP2.70
Rot. Bonds6

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 124850117) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID124850117
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1n[nH]c(C)c1CNC(=O)CC[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C22H23N5O3/c1-13-17(14(2)26-25-13)12-23-20(28)11-10-18-21(29)27(22(30)24-18)19-9-5-7-15-6-3-4-8-16(15)19/h3-9,18H,10-12H2,1-2H3,(H,23,28)(H,24,30)(H,25,26)/t18-/m1/s1
InChIKeyPZTPULAMKOUSOV-GOSISDBHSA-N
XLogP2.70
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.70
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-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide (CID 124850117) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide is Cc1n[nH]c(C)c1CNC(=O)CC[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is PZTPULAMKOUSOV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-13-17(14(2)26-25-13)12-23-20(28)11-10-18-21(29)27(22(30)24-18)19-9-5-7-15-6-3-4-8-16(15)19/h3-9,18H,10-12H2,1-2H3,(H,23,28)(H,24,30)(H,25,26)/t18-/m1/s1.
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 405.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 124850117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).