1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine

C14H27N5 — CID 66011883

IUPAC1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H27N5/c1-5-19-14(13(15)11(2)16-19)18(4)10-12-6-8-17(3)9-7-12/h12H,5-10,15H2,1-4H3
InChIKeyNHWZHVBWRNZGSJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.57
Rot. Bonds4

About 1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine

1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine (PubChem CID 66011883) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
PubChem CID66011883
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H27N5/c1-5-19-14(13(15)11(2)16-19)18(4)10-12-6-8-17(3)9-7-12/h12H,5-10,15H2,1-4H3
InChIKeyNHWZHVBWRNZGSJ-UHFFFAOYSA-N
XLogP1.57
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine (CID 66011883) is 1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine is CCn1nc(C)c(N)c1N(C)CC1CCN(C)CC1.
What is the InChIKey of 1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine?
The InChIKey is NHWZHVBWRNZGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-5-19-14(13(15)11(2)16-19)18(4)10-12-6-8-17(3)9-7-12/h12H,5-10,15H2,1-4H3.
What are the key properties of 1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine?
1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66011883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).