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

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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).