4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine

C16H31N5 — CID 63236600

IUPAC4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H31N5/c1-6-17-11-15-13(2)18-21(5)16(15)20(4)12-14-7-9-19(3)10-8-14/h14,17H,6-12H2,1-5H3
InChIKeyUTUSLRIVJNISCN-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.62
Rot. Bonds6

About 4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine

4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine (PubChem CID 63236600) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine
PubChem CID63236600
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H31N5/c1-6-17-11-15-13(2)18-21(5)16(15)20(4)12-14-7-9-19(3)10-8-14/h14,17H,6-12H2,1-5H3
InChIKeyUTUSLRIVJNISCN-UHFFFAOYSA-N
XLogP1.62
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63274020
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60960906
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63782929
N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43569435
N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide
CID 76952340
4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol
CID 114950649
N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
CID 61452073
5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
CID 66018897
N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 63713832
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine
CID 61447122
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine
CID 43296903
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
CID 79850033

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine?
The IUPAC name of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine (CID 63236600) is 4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine is CCNCc1c(C)nn(C)c1N(C)CC1CCN(C)CC1.
What is the InChIKey of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine?
The InChIKey is UTUSLRIVJNISCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-6-17-11-15-13(2)18-21(5)16(15)20(4)12-14-7-9-19(3)10-8-14/h14,17H,6-12H2,1-5H3.
What are the key properties of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine?
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine has a molecular weight of 293.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 63236600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).