1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine

C14H27N5 — CID 43585515

IUPAC1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1N1CCN(C(C)C)CC1
InChIInChI=1S/C14H27N5/c1-11(2)18-6-8-19(9-7-18)14-13(10-15-4)12(3)16-17(14)5/h11,15H,6-10H2,1-5H3
InChIKeyDQQBVJMMPXNQCX-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.98
Rot. Bonds4

About 1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine

1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 43585515) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID43585515
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1N1CCN(C(C)C)CC1
InChIInChI=1S/C14H27N5/c1-11(2)18-6-8-19(9-7-18)14-13(10-15-4)12(3)16-17(14)5/h11,15H,6-10H2,1-5H3
InChIKeyDQQBVJMMPXNQCX-UHFFFAOYSA-N
XLogP0.98
TPSA36.33 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4,4-diethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63158522
N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43280266
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 55159710
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol
CID 62941352
1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 79943900
2-[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
CID 107228127
N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide
CID 102736721
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 62407467
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474817
1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine
CID 63153025
N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61432911
1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine
CID 43282174

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine (CID 43585515) is 1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1N1CCN(C(C)C)CC1.
What is the InChIKey of 1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is DQQBVJMMPXNQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11(2)18-6-8-19(9-7-18)14-13(10-15-4)12(3)16-17(14)5/h11,15H,6-10H2,1-5H3.
What are the key properties of 1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine?
1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 265.40 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 43585515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).