5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine

C15H27N5 — CID 66018866

IUPAC5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCN(CC3CC3)CC2)c1N
InChIInChI=1S/C15H27N5/c1-3-4-13-14(16)15(18(2)17-13)20-9-7-19(8-10-20)11-12-5-6-12/h12H,3-11,16H2,1-2H3
InChIKeyCLMUMIFRBRZBCX-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.49
Rot. Bonds5

About 5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine

5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66018866) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine
PubChem CID66018866
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCN(CC3CC3)CC2)c1N
InChIInChI=1S/C15H27N5/c1-3-4-13-14(16)15(18(2)17-13)20-9-7-19(8-10-20)11-12-5-6-12/h12H,3-11,16H2,1-2H3
InChIKeyCLMUMIFRBRZBCX-UHFFFAOYSA-N
XLogP1.49
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine (CID 66018866) is 5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(N2CCN(CC3CC3)CC2)c1N.
What is the InChIKey of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is CLMUMIFRBRZBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-3-4-13-14(16)15(18(2)17-13)20-9-7-19(8-10-20)11-12-5-6-12/h12H,3-11,16H2,1-2H3.
What are the key properties of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine?
5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 277.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66018866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).