N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine

C13H25N5 — CID 43122263

IUPACN-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine
SMILESCc1nn(C)c(N(C)C2CCN(C)CC2)c1CN
InChIInChI=1S/C13H25N5/c1-10-12(9-14)13(18(4)15-10)17(3)11-5-7-16(2)8-6-11/h11H,5-9,14H2,1-4H3
InChIKeyXWHHKCNSHGJBPS-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.72
Rot. Bonds3

About N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine

N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine (PubChem CID 43122263) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine
PubChem CID43122263
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine
SMILESCc1nn(C)c(N(C)C2CCN(C)CC2)c1CN
InChIInChI=1S/C13H25N5/c1-10-12(9-14)13(18(4)15-10)17(3)11-5-7-16(2)8-6-11/h11H,5-9,14H2,1-4H3
InChIKeyXWHHKCNSHGJBPS-UHFFFAOYSA-N
XLogP0.72
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine (CID 43122263) is N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine is Cc1nn(C)c(N(C)C2CCN(C)CC2)c1CN.
What is the InChIKey of N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is XWHHKCNSHGJBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10-12(9-14)13(18(4)15-10)17(3)11-5-7-16(2)8-6-11/h11H,5-9,14H2,1-4H3.
What are the key properties of N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine?
N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 251.38 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 43122263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).