1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea

C20H25N5S — CID 19343176

IUPAC1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
SMILESCN(C)CCCNC(=S)Nc1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H25N5S/c1-24(2)12-6-11-21-20(26)23-18-13-22-25(15-18)14-17-9-5-8-16-7-3-4-10-19(16)17/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H2,21,23,26)
InChIKeyVQAPDBFCPGBXIX-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.32
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea

1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea (PubChem CID 19343176) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
PubChem CID19343176
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Name1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
SMILESCN(C)CCCNC(=S)Nc1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H25N5S/c1-24(2)12-6-11-21-20(26)23-18-13-22-25(15-18)14-17-9-5-8-16-7-3-4-10-19(16)17/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H2,21,23,26)
InChIKeyVQAPDBFCPGBXIX-UHFFFAOYSA-N
XLogP3.32
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-ethylpyrazol-4-yl)methyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 19343206
1-[3-(diethylamino)propyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19342891
1-(3-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 17300277
1-(3,4-dichlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 19343204
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 17375236
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-[3-(dimethylamino)propyl]thiourea
CID 19344912
1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
CID 19447846
methyl 2-[[4-(naphthalen-1-ylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate
CID 19344638
1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethylphenyl)thiourea
CID 19343147
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19399595
1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea
CID 19343087

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea (CID 19343176) is 1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea is CN(C)CCCNC(=S)Nc1cnn(Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea?
The InChIKey is VQAPDBFCPGBXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S/c1-24(2)12-6-11-21-20(26)23-18-13-22-25(15-18)14-17-9-5-8-16-7-3-4-10-19(16)17/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H2,21,23,26).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea?
1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea has a molecular weight of 367.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea is sourced from PubChem (CID 19343176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).