1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea

C15H22N6O — CID 71864906

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccnc1CNC(=O)Nc1cnn(CCN(C)C)c1
InChIInChI=1S/C15H22N6O/c1-12-5-4-6-16-14(12)10-17-15(22)19-13-9-18-21(11-13)8-7-20(2)3/h4-6,9,11H,7-8,10H2,1-3H3,(H2,17,19,22)
InChIKeyBCNUZXHFIWHQMF-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.47
Rot. Bonds6

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea

1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea (PubChem CID 71864906) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea
PubChem CID71864906
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccnc1CNC(=O)Nc1cnn(CCN(C)C)c1
InChIInChI=1S/C15H22N6O/c1-12-5-4-6-16-14(12)10-17-15(22)19-13-9-18-21(11-13)8-7-20(2)3/h4-6,9,11H,7-8,10H2,1-3H3,(H2,17,19,22)
InChIKeyBCNUZXHFIWHQMF-UHFFFAOYSA-N
XLogP1.47
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54671062
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
1-(2,6-Dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
CID 164608769
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 1259244
1-Benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53236674
1-[7-(1-Methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea
CID 53236676
1-Tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53239593
7-(2-(2,5-difluorophenyl)pyridin-4-ylamino)-N-ethyl-1H-pyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670783
1-(2-Phenylphenyl)-3-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]urea
CID 86305922
1-(2-Phenylphenyl)-3-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]urea
CID 86305969
1-(2-Phenylphenyl)-3-[8-(4-pyridin-3-yltriazol-1-yl)octyl]urea
CID 86305973
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea (CID 71864906) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea is Cc1cccnc1CNC(=O)Nc1cnn(CCN(C)C)c1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea?
The InChIKey is BCNUZXHFIWHQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-12-5-4-6-16-14(12)10-17-15(22)19-13-9-18-21(11-13)8-7-20(2)3/h4-6,9,11H,7-8,10H2,1-3H3,(H2,17,19,22).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea?
1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea has a molecular weight of 302.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 71864906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).