N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine

C17H34N6 — CID 51104959

IUPACN,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C17H34N6/c1-14-15(16(20(4)5)22(7)19-14)12-18-13-17(2,3)23-10-8-21(6)9-11-23/h18H,8-13H2,1-7H3
InChIKeyXSAVUKSITABIAJ-UHFFFAOYSA-N
MW322.50 g/mol
LogP0.91
Rot. Bonds6

About N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine

N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine (PubChem CID 51104959) has the molecular formula C17H34N6 and a molecular weight of 322.50 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine
PubChem CID51104959
Molecular FormulaC17H34N6
Molecular Weight322.50 g/mol
Exact Mass322.28
IUPAC NameN,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C17H34N6/c1-14-15(16(20(4)5)22(7)19-14)12-18-13-17(2,3)23-10-8-21(6)9-11-23/h18H,8-13H2,1-7H3
InChIKeyXSAVUKSITABIAJ-UHFFFAOYSA-N
XLogP0.91
TPSA39.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine with MolForge

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Related Compounds

2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol
CID 47614737
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104795
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
(1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 95284907
N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine
CID 51105393
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine
CID 63236600
N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine
CID 94821631
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103839012
4-[[(2-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104667
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 51104851
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide
CID 51105059
4-[[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105311

Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine?
The IUPAC name of N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine (CID 51104959) is N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine?
The InChIKey is XSAVUKSITABIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6/c1-14-15(16(20(4)5)22(7)19-14)12-18-13-17(2,3)23-10-8-21(6)9-11-23/h18H,8-13H2,1-7H3.
What are the key properties of N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine?
N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine has a molecular weight of 322.50 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine is sourced from PubChem (CID 51104959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).