ethane;4-methyl-1H-pyrazol-5-amine;propane

C9H21N3 — CID 170573511

IUPACethane;4-methyl-1H-pyrazol-5-amine;propane
SMILESCC.CCC.Cc1cn[nH]c1N
InChIInChI=1S/C4H7N3.C3H8.C2H6/c1-3-2-6-7-4(3)5;1-3-2;1-2/h2H,1H3,(H3,5,6,7);3H2,1-2H3;1-2H3
InChIKeyUXXBAGNCFKDGSO-UHFFFAOYSA-N
MW171.29 g/mol
LogP2.74
Rot. Bonds

About ethane;4-methyl-1H-pyrazol-5-amine;propane

ethane;4-methyl-1H-pyrazol-5-amine;propane (PubChem CID 170573511) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is ethane;4-methyl-1H-pyrazol-5-amine;propane.

Molecular Properties

Compound Nameethane;4-methyl-1H-pyrazol-5-amine;propane
PubChem CID170573511
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Nameethane;4-methyl-1H-pyrazol-5-amine;propane
SMILESCC.CCC.Cc1cn[nH]c1N
InChIInChI=1S/C4H7N3.C3H8.C2H6/c1-3-2-6-7-4(3)5;1-3-2;1-2/h2H,1H3,(H3,5,6,7);3H2,1-2H3;1-2H3
InChIKeyUXXBAGNCFKDGSO-UHFFFAOYSA-N
XLogP2.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1H-pyrazol-5-amine;propane?
The IUPAC name of ethane;4-methyl-1H-pyrazol-5-amine;propane (CID 170573511) is ethane;4-methyl-1H-pyrazol-5-amine;propane.
What is the SMILES notation for ethane;4-methyl-1H-pyrazol-5-amine;propane?
The canonical SMILES for ethane;4-methyl-1H-pyrazol-5-amine;propane is CC.CCC.Cc1cn[nH]c1N.
What is the InChIKey of ethane;4-methyl-1H-pyrazol-5-amine;propane?
The InChIKey is UXXBAGNCFKDGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.C3H8.C2H6/c1-3-2-6-7-4(3)5;1-3-2;1-2/h2H,1H3,(H3,5,6,7);3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-1H-pyrazol-5-amine;propane?
ethane;4-methyl-1H-pyrazol-5-amine;propane has a molecular weight of 171.29 g/mol, XLogP of 2.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1H-pyrazol-5-amine;propane is sourced from PubChem (CID 170573511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).