3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide

C16H30N4O — CID 66401282

IUPAC3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide
SMILESCc1nn(CCC(=O)NC(C)C)c(C)c1CNCC(C)C
InChIInChI=1S/C16H30N4O/c1-11(2)9-17-10-15-13(5)19-20(14(15)6)8-7-16(21)18-12(3)4/h11-12,17H,7-10H2,1-6H3,(H,18,21)
InChIKeyBBUICYOTEUVWDG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.16
Rot. Bonds8

About 3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide

3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 66401282) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID66401282
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide
SMILESCc1nn(CCC(=O)NC(C)C)c(C)c1CNCC(C)C
InChIInChI=1S/C16H30N4O/c1-11(2)9-17-10-15-13(5)19-20(14(15)6)8-7-16(21)18-12(3)4/h11-12,17H,7-10H2,1-6H3,(H,18,21)
InChIKeyBBUICYOTEUVWDG-UHFFFAOYSA-N
XLogP2.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide
CID 66401285
ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
CID 66400895
N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79185975
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 43647788
N-[[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730449
2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 86809135
N-[[3,5-dimethyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66040224
2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122127650
2-[3,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]acetic acid
CID 61294263
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol;hydrochloride
CID 115614115
N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63513000
N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 80693701

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide (CID 66401282) is 3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide is Cc1nn(CCC(=O)NC(C)C)c(C)c1CNCC(C)C.
What is the InChIKey of 3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is BBUICYOTEUVWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-11(2)9-17-10-15-13(5)19-20(14(15)6)8-7-16(21)18-12(3)4/h11-12,17H,7-10H2,1-6H3,(H,18,21).
What are the key properties of 3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide?
3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 294.44 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 66401282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).