[4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone

C13H23N5O — CID 102801072

IUPAC[4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCN(C(C)CN)CC1
InChIInChI=1S/C13H23N5O/c1-10(8-14)17-4-6-18(7-5-17)13(19)12-9-16(3)15-11(12)2/h9-10H,4-8,14H2,1-3H3
InChIKeyHSKQZZXIATUFIN-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.17
Rot. Bonds3

About [4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 102801072) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID102801072
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCN(C(C)CN)CC1
InChIInChI=1S/C13H23N5O/c1-10(8-14)17-4-6-18(7-5-17)13(19)12-9-16(3)15-11(12)2/h9-10H,4-8,14H2,1-3H3
InChIKeyHSKQZZXIATUFIN-UHFFFAOYSA-N
XLogP-0.17
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone (CID 102801072) is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone is Cc1nn(C)cc1C(=O)N1CCN(C(C)CN)CC1.
What is the InChIKey of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is HSKQZZXIATUFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(8-14)17-4-6-18(7-5-17)13(19)12-9-16(3)15-11(12)2/h9-10H,4-8,14H2,1-3H3.
What are the key properties of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 102801072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).