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

C16H28N4O — CID 66401285

IUPACN-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide
SMILESCc1nn(CCC(=O)NC2CC2)c(C)c1CNCC(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)9-17-10-15-12(3)19-20(13(15)4)8-7-16(21)18-14-5-6-14/h11,14,17H,5-10H2,1-4H3,(H,18,21)
InChIKeySRFLKHUVUMVSPX-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.91
Rot. Bonds8

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

N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide (PubChem CID 66401285) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide
PubChem CID66401285
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide
SMILESCc1nn(CCC(=O)NC2CC2)c(C)c1CNCC(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)9-17-10-15-12(3)19-20(13(15)4)8-7-16(21)18-14-5-6-14/h11,14,17H,5-10H2,1-4H3,(H,18,21)
InChIKeySRFLKHUVUMVSPX-UHFFFAOYSA-N
XLogP1.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 66401282
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401290
ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
CID 66400895
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19543732
4-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 75429285
N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66405210
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-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide
CID 115595850
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide
CID 36813556
N-[[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730449

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide (CID 66401285) is N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide is Cc1nn(CCC(=O)NC2CC2)c(C)c1CNCC(C)C.
What is the InChIKey of N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide?
The InChIKey is SRFLKHUVUMVSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)9-17-10-15-12(3)19-20(13(15)4)8-7-16(21)18-14-5-6-14/h11,14,17H,5-10H2,1-4H3,(H,18,21).
What are the key properties of N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide?
N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide has a molecular weight of 292.43 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide is sourced from PubChem (CID 66401285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).