1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea

C18H32N6OS — CID 19445685

IUPAC1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea
SMILESCCN(CC)CCCNC(=S)Nc1cnn(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C18H32N6OS/c1-4-23(5-2)11-9-10-19-18(26)21-15-14-20-22(3)16(15)17(25)24-12-7-6-8-13-24/h14H,4-13H2,1-3H3,(H2,19,21,26)
InChIKeyJCQIPWKQDMIVGL-UHFFFAOYSA-N
MW380.56 g/mol
LogP2.06
Rot. Bonds8

About 1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea

1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea (PubChem CID 19445685) has the molecular formula C18H32N6OS and a molecular weight of 380.56 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea
PubChem CID19445685
Molecular FormulaC18H32N6OS
Molecular Weight380.56 g/mol
Exact Mass380.24
IUPAC Name1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea
SMILESCCN(CC)CCCNC(=S)Nc1cnn(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C18H32N6OS/c1-4-23(5-2)11-9-10-19-18(26)21-15-14-20-22(3)16(15)17(25)24-12-7-6-8-13-24/h14H,4-13H2,1-3H3,(H2,19,21,26)
InChIKeyJCQIPWKQDMIVGL-UHFFFAOYSA-N
XLogP2.06
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(furan-2-ylmethyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea
CID 19445679
1-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea
CID 19445726
1-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea
CID 19445725
1-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(4-nitrophenyl)thiourea
CID 19445675
N-[3-(diethylamino)propyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517232
3-(4-chloropyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
CID 19338683
1-[3-(N-ethyl-4-methylanilino)propyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100738747
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
CID 19337042
1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea
CID 19449713
6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide
CID 19337046
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
CID 19338675
3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19336985

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea (CID 19445685) is 1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea is CCN(CC)CCCNC(=S)Nc1cnn(C)c1C(=O)N1CCCCC1.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea?
The InChIKey is JCQIPWKQDMIVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6OS/c1-4-23(5-2)11-9-10-19-18(26)21-15-14-20-22(3)16(15)17(25)24-12-7-6-8-13-24/h14H,4-13H2,1-3H3,(H2,19,21,26).
What are the key properties of 1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea?
1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea has a molecular weight of 380.56 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea is sourced from PubChem (CID 19445685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).