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

C15H29N5 — CID 66018897

IUPAC5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)CC2CCN(C)CC2)c1N
InChIInChI=1S/C15H29N5/c1-5-6-13-14(16)15(20(4)17-13)19(3)11-12-7-9-18(2)10-8-12/h12H,5-11,16H2,1-4H3
InChIKeyLJBAWRURKBVHFD-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.73
Rot. Bonds5

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

5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine (PubChem CID 66018897) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
PubChem CID66018897
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)CC2CCN(C)CC2)c1N
InChIInChI=1S/C15H29N5/c1-5-6-13-14(16)15(20(4)17-13)19(3)11-12-7-9-18(2)10-8-12/h12H,5-11,16H2,1-4H3
InChIKeyLJBAWRURKBVHFD-UHFFFAOYSA-N
XLogP1.73
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine
CID 66017153
1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
CID 66011883
5-N,1-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011553
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine
CID 63236600
5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine
CID 66019042
5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine
CID 66019626
5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61444659
5-N,3-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66027665
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63782929
5-N,1,3-trimethyl-5-N-(oxan-4-ylmethyl)pyrazole-4,5-diamine
CID 55228543
4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63274020
N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide
CID 76952340

Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine (CID 66018897) is 5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(N(C)CC2CCN(C)CC2)c1N.
What is the InChIKey of 5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine?
The InChIKey is LJBAWRURKBVHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-6-13-14(16)15(20(4)17-13)19(3)11-12-7-9-18(2)10-8-12/h12H,5-11,16H2,1-4H3.
What are the key properties of 5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine?
5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine has a molecular weight of 279.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66018897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).