1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea

C17H23N5O — CID 51084393

IUPAC1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
SMILESCc1cc(C)n(-c2ccc(CNC(=O)NCC3CCC3)cn2)n1
InChIInChI=1S/C17H23N5O/c1-12-8-13(2)22(21-12)16-7-6-15(10-18-16)11-20-17(23)19-9-14-4-3-5-14/h6-8,10,14H,3-5,9,11H2,1-2H3,(H2,19,20,23)
InChIKeyPBGXPBUDEJVJML-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.48
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea

1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea (PubChem CID 51084393) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
PubChem CID51084393
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
SMILESCc1cc(C)n(-c2ccc(CNC(=O)NCC3CCC3)cn2)n1
InChIInChI=1S/C17H23N5O/c1-12-8-13(2)22(21-12)16-7-6-15(10-18-16)11-20-17(23)19-9-14-4-3-5-14/h6-8,10,14H,3-5,9,11H2,1-2H3,(H2,19,20,23)
InChIKeyPBGXPBUDEJVJML-UHFFFAOYSA-N
XLogP2.48
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120549365
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86999039
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896107
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848561
1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55969112
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94097221
1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890477
1-(cyclopropylmethyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-ethylguanidine
CID 111869468
methyl 1-[N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253449
1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]urea
CID 86880160

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea (CID 51084393) is 1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea is Cc1cc(C)n(-c2ccc(CNC(=O)NCC3CCC3)cn2)n1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea?
The InChIKey is PBGXPBUDEJVJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-8-13(2)22(21-12)16-7-6-15(10-18-16)11-20-17(23)19-9-14-4-3-5-14/h6-8,10,14H,3-5,9,11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea?
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea has a molecular weight of 313.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 51084393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).