1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea

C11H16N6S — CID 19326845

IUPAC1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
SMILESCc1c(NC(=S)NCc2ccnn2C)cnn1C
InChIInChI=1S/C11H16N6S/c1-8-10(7-14-16(8)2)15-11(18)12-6-9-4-5-13-17(9)3/h4-5,7H,6H2,1-3H3,(H2,12,15,18)
InChIKeyARAXVJCRLYSFKM-UHFFFAOYSA-N
MW264.36 g/mol
LogP0.95
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea

1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea (PubChem CID 19326845) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
PubChem CID19326845
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
SMILESCc1c(NC(=S)NCc2ccnn2C)cnn1C
InChIInChI=1S/C11H16N6S/c1-8-10(7-14-16(8)2)15-11(18)12-6-9-4-5-13-17(9)3/h4-5,7H,6H2,1-3H3,(H2,12,15,18)
InChIKeyARAXVJCRLYSFKM-UHFFFAOYSA-N
XLogP0.95
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylpyrazol-3-yl)methyl]-3-phenylthiourea
CID 19326795
1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 19326815
1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea
CID 19343258
1-(1,5-dimethylpyrazol-4-yl)-3-(2-methylphenyl)thiourea
CID 17264839
1-(2-methoxy-4-nitrophenyl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 17283697
(1,5-dimethylpyrazol-4-yl)thiourea
CID 7176013
1-(1,5-dimethylpyrazol-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17375392
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(1,5-dimethylpyrazol-4-yl)thiourea
CID 19342398
1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 115583338
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea (CID 19326845) is 1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea is Cc1c(NC(=S)NCc2ccnn2C)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
The InChIKey is ARAXVJCRLYSFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-8-10(7-14-16(8)2)15-11(18)12-6-9-4-5-13-17(9)3/h4-5,7H,6H2,1-3H3,(H2,12,15,18).
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea has a molecular weight of 264.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea is sourced from PubChem (CID 19326845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).